Geometry & MOs

Info

ID:	318160
PubChem CID:	126649184
Reduced:	N5O7C21H23 (1)
Stoich.:	A5B7C21D23 (1)
Weight, g/mol:	1097.482246
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	11.75
IP(EA), eV:	-9.24(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-N-(3,3-difluorocyclobutyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide;1-benzyl-5-N-(3-hydroxycyclobutyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide;5-N-cyclobutyl-1-[(2,5-dimethylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(C1=CC(=NO1)C(=O)NO)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCN(C1=CC(=NO1)C(=O)NO)C(=O)C2=NOC(=C2)C3=CC=C(C=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):