Geometry & MOs

Info

ID:	156608
PubChem CID:	56371332
Reduced:	NSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	3.36
IP(EA), eV:	-8.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)/C=C/C3=CC=CS3)OC

DOS

IR

Vibrations