Geometry & MOs

Info

ID:	124176
PubChem CID:	50873959
Reduced:	NCl2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	6.09
IP(EA), eV:	-9.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-methoxycarbonylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations