Geometry & MOs

Info

ID:	373714
PubChem CID:	131319108
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	289.95025
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	2.3
IP(EA), eV:	-9.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(difluoromethyl)-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NOC(C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations