Geometry & MOs

Info

ID:	178885
PubChem CID:	76396112
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	240.078644
ΔH_f, kcal/mol:	65.77
Dipole, Da:	4.68
IP(EA), eV:	-8.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cinnamylidene-5-methylcyclopentane-1,2,4-trione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC=C(C#N)C2C(C=CC2=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations