Geometry & MOs

Info

ID:	8502
PubChem CID:	78621
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	1.18
IP(EA), eV:	-8.84(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=O)C(=C2)C)C)C=C(C1=O)C

DOS

IR

Vibrations