Geometry & MOs

Info

ID:	156560
PubChem CID:	56371137
Reduced:	ClN3O4C21H32 (1)
Stoich.:	AB3C4D21E32 (1)
Weight, g/mol:	412.08987
ΔH_f, kcal/mol:	-200.06
Dipole, Da:	8.69
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCCCN1CCC(=O)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations