Geometry & MOs

Info

ID:	393017
PubChem CID:	135018958
Reduced:	O5H12C16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	332.17763
ΔH_f, kcal/mol:	-131.21
Dipole, Da:	5.72
IP(EA), eV:	-9.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1,3-diphenylprop-2-enyl]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C(=O)C2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations