Geometry & MOs

Info

ID:	174671
PubChem CID:	75805758
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	23.4
Dipole, Da:	6.0
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(butanoylamino)phenyl]methyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN3C=CC=C3C2C4=CC=CC=C4

DOS

IR

Vibrations