Geometry & MOs

Info

ID:	347521
PubChem CID:	127272376
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	5.49
IP(EA), eV:	-8.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)NC2CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations