Geometry & MOs

Info

ID:	145439
PubChem CID:	53524816
Reduced:	O3N6C18H22 (1)
Stoich.:	A3B6C18D22 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	14.88
Dipole, Da:	11.11
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=NN=C4N3CCC4)[N+](=O)[O-]

DOS

IR

Vibrations