Geometry & MOs

Info

ID:	156852
PubChem CID:	56394727
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	4.46
IP(EA), eV:	-8.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC=C)OC

DOS

IR

Vibrations