Geometry & MOs

Info

ID:	62395
PubChem CID:	26719672
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	486.193691
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	1.71
IP(EA), eV:	-8.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)C)C)C(=O)OC

DOS

IR

Vibrations