Geometry & MOs

Info

ID:	156659
PubChem CID:	56371572
Reduced:	SN2O5C24H38 (1)
Stoich.:	AB2C5D24E38 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-225.98
Dipole, Da:	3.37
IP(EA), eV:	-8.25(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations