Geometry & MOs

Info

ID:	264673
PubChem CID:	103481509
Reduced:	ClNOBr2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	350.9774
ΔH_f, kcal/mol:	-35.09
Dipole, Da:	2.09
IP(EA), eV:	-9.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(2-bromo-3-chlorophenyl)benzimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)CC(C(=O)N)Br

DOS

IR

Vibrations