Geometry & MOs

Info

ID:	188438
PubChem CID:	77717537
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	4.58
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylbenzoyl)-N-(3-acetylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(O2)C(=O)C(CCC3=CC=CC=C3)CCC(=O)N

DOS

IR

Vibrations