Geometry & MOs

Info

ID:	437645
PubChem CID:	135226752
Reduced:	FO4N5C34H44 (1)
Stoich.:	AB4C5D34E44 (1)
Weight, g/mol:	424.227454
ΔH_f, kcal/mol:	-196.01
Dipole, Da:	3.5
IP(EA), eV:	-8.21(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-cyano-2-[2-fluoro-4-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

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

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCC5C4CN(C5)CC6=CC=CC=C6)F)C(=O)N

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

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CCC5C4CN(C5)CC6=CC=CC=C6)F)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):