Geometry & MOs

Info

ID:	438195
PubChem CID:	135227887
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	326.04186
ΔH_f, kcal/mol:	76.22
Dipole, Da:	8.41
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-[cyclopropyl(phenyl)methyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=NC=C3C(=C2)N(C(=N3)C)C(C4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations