Geometry & MOs

Info

ID:	153345
PubChem CID:	56312529
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	5.31
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)-N-(3-phenylbutyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations