Geometry & MOs

Info

ID:	174672
PubChem CID:	75805786
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	6.13
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(butanoylamino)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=C(C=C1)CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3CC

DOS

IR

Vibrations