Geometry & MOs

Info

ID:	363418
PubChem CID:	127311221
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-67.04
Dipole, Da:	5.32
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyrrolidine-1-carbonyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCCC2)C(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations