Geometry & MOs

Info

ID:	438232
PubChem CID:	135227926
Reduced:	FN7C21H22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	382.10446
ΔH_f, kcal/mol:	93.77
Dipole, Da:	2.13
IP(EA), eV:	-8.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-[cyclohexyl(phenyl)methyl]-6-methylbenzimidazole

Drug info:

PubChemData

Smile

C/C(=N/N)/C(=NC)C1=CC(=C(C=C1)N)NC(C2=CN=CC=C2)C3=C(C=CC=N3)F

DOS

IR

Vibrations