Geometry & MOs

Info

ID:	20451
PubChem CID:	584032
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	4.27
IP(EA), eV:	-8.53(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-[(4-propan-2-ylphenyl)methyl]-N-(4-prop-2-enoxyphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)OCC=C

DOS

IR

Vibrations