Geometry & MOs

Info

ID:	372229
PubChem CID:	131294482
Reduced:	NSO3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	271.95967
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	3.32
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-7-fluoro-3H-benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1)OC(=N2)CC(=O)O

DOS

IR

Vibrations