Geometry & MOs

Info

ID:	402429
PubChem CID:	135055932
Reduced:	Cl2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	283.053069
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	2.52
IP(EA), eV:	-9.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4R)-1-benzyl-3-(1-chloroethylidene)-4-(chloromethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C/C(=C\1/[C@H]([C@H](OC1=O)C2=CC=CC=C2)CCl)/Cl

DOS

IR

Vibrations