Geometry & MOs

Info

ID:	392568
PubChem CID:	135017190
Reduced:	N3O3C21H22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	355.06841
ΔH_f, kcal/mol:	-76.02
Dipole, Da:	6.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756468
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-cyclohexyl-2-pyridin-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CC1([C]2C[C@@]34CCCN3C(=O)C2(C[C@]15C(=O)C6=CC=CC=C6N5)NC4=O)C

DOS

IR

Vibrations