Geometry & MOs

Info

ID:	288043
PubChem CID:	104310127
Reduced:	FO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	333.97532
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	11.92
IP(EA), eV:	-9.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-6-fluoro-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC3=C(N2)C=C(C(=C3)C(=O)O)F

DOS

IR

Vibrations