Geometry & MOs

Info

ID:	438160
PubChem CID:	135227788
Reduced:	N3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	495.96472
ΔH_f, kcal/mol:	130.63
Dipole, Da:	6.01
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-iodo-1-[oxan-4-yl(phenyl)methyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)N)NC(C3=CC=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations