Geometry & MOs

Info

ID:	158743
PubChem CID:	56468260
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	426.174392
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	6.15
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butylcyclopentyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=N3)[N+](=O)[O-]

DOS

IR

Vibrations