Geometry & MOs

Info

ID:	156710
PubChem CID:	56371833
Reduced:	NO3C14H19 (2)
Stoich.:	AB3C14D19 (2)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-214.4
Dipole, Da:	5.48
IP(EA), eV:	-8.32(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations