Geometry & MOs

Info

ID:	390134
PubChem CID:	134997276
Reduced:	NO4C21H33 (1)
Stoich.:	AB4C21D33 (1)
Weight, g/mol:	425.256609
ΔH_f, kcal/mol:	-173.77
Dipole, Da:	1.76
IP(EA), eV:	-8.15(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCC1CC(=O)OCC)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations