Geometry & MOs

Info

ID:	124184
PubChem CID:	50873983
Reduced:	NCl2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	5.21
IP(EA), eV:	-9.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-carbamoylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CC(CC2=O)C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations