Geometry & MOs

Info

ID:	54347
PubChem CID:	17078817
Reduced:	N2O3H8C12 (2)
Stoich.:	A2B3C8D12 (2)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	7.01
IP(EA), eV:	-8.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C/C(=C\2/NC3=C(O2)C=CC=N3)/C1=O)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations