Geometry & MOs

Info

ID:	276861
PubChem CID:	103825488
Reduced:	BrOCl2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	6.82
IP(EA), eV:	-9.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C(=O)NC2=CC(=C(C=C2)Br)Cl)Cl

DOS

IR

Vibrations