Geometry & MOs

Info

ID:	156540
PubChem CID:	56371069
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	441.251523
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	5.28
IP(EA), eV:	-8.3(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CC(CC1=O)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations