Geometry & MOs

Info

ID:	196369
PubChem CID:	78815938
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	6.89
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations