Geometry & MOs

Info

ID:	393041
PubChem CID:	135019096
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	437.204967
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	1.85
IP(EA), eV:	-8.93(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxy-5-oxopyrrolidine-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CCC[C@]12CCCC[C@H]2OC

DOS

IR

Vibrations