Geometry & MOs

Info

ID:	152418
PubChem CID:	56311344
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	369.08406
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	3.6
IP(EA), eV:	-8.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations