Geometry & MOs

Info

ID:	156353
PubChem CID:	56370239
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	386.130967
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	5.35
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC(=CC=C1)OC)N2CCC(CC2)CCN3CCOCC3

DOS

IR

Vibrations