Geometry & MOs

Info

ID:	314673
PubChem CID:	126622656
Reduced:	FN3O5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	273.91447
ΔH_f, kcal/mol:	-176.71
Dipole, Da:	2.69
IP(EA), eV:	-9.22(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-1H-benzimidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=CC=CC=C21)CC(=O)N3C[C@@H](C[C@H]3C(=O)C(=O)O)F

DOS

IR

Vibrations