Geometry & MOs

Info

ID:	161335
PubChem CID:	57391369
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	3.86
IP(EA), eV:	-9.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-7-hydroxy-1H-benzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations