Geometry & MOs

Info

ID:	242407
PubChem CID:	96099942
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	43.8
Dipole, Da:	4.97
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)C3=CN4C=CC=NC4=N3

DOS

IR

Vibrations