Geometry & MOs

Info

ID:	88890
PubChem CID:	49957410
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	267.031377
ΔH_f, kcal/mol:	111.16
Dipole, Da:	4.27
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=CC=CC=C3N=C2N=[N+]=[N-]

DOS

IR

Vibrations