Geometry & MOs

Info

ID:	82732
PubChem CID:	49856418
Reduced:	ClNO7C18H22 (1)
Stoich.:	ABC7D18E22 (1)
Weight, g/mol:	413.12413
ΔH_f, kcal/mol:	-285.72
Dipole, Da:	4.24
IP(EA), eV:	-9.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(2-chloroethyl)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methyl-5-oxopyrrolidine-2,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C(C(C2(C(=O)OC)C(=O)OC)O)CCCl

DOS

IR

Vibrations