Geometry & MOs

Info

ID:	13769
PubChem CID:	397988
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	2.62
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis(2,4-dimethylphenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations