Geometry & MOs

Info

ID:	156488
PubChem CID:	56370817
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	2.19
IP(EA), eV:	-8.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)COC3=CC=CC=C3C#N)OC

DOS

IR

Vibrations