Geometry & MOs

Info

ID:	156494
PubChem CID:	56370853
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	433.239913
ΔH_f, kcal/mol:	-62.25
Dipole, Da:	2.79
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-(1-cycloheptylpyrrolidin-3-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations