Geometry & MOs

Info

ID:	242413
PubChem CID:	96099948
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	1.34
IP(EA), eV:	-9.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)CC3=NOC4=CC=CC=C43

DOS

IR

Vibrations