Geometry & MOs

Info

ID:	156660
PubChem CID:	56371576
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	478.283158
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	6.28
IP(EA), eV:	-8.25(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3CC(=O)N(C3)CC4=CC=CC=N4)OC

DOS

IR

Vibrations