Geometry & MOs

Info

ID:	242336
PubChem CID:	96099868
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	7.92
Dipole, Da:	7.08
IP(EA), eV:	-8.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-carboxyethyl]-2-(methylaminomethyl)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)C3=C4C=CN(C4=CC=C3)C

DOS

IR

Vibrations