Geometry & MOs

Info

ID:	218699
PubChem CID:	85089826
Reduced:	SiO4C30H44 (1)
Stoich.:	AB4C30D44 (1)
Weight, g/mol:	460.198966
ΔH_f, kcal/mol:	-228.38
Dipole, Da:	2.39
IP(EA), eV:	-8.86(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(cyclobutylamino)-N-[[4-(diaminomethyl)phenyl]methyl]-8-(hydroxymethyl)-7-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-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

CC1CCC(OC1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(C)CCCOC(=O)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

CC1CCC(OC1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(C)CCCOC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):