Geometry & MOs

Info

ID:	4071
PubChem CID:	10688
Reduced:	OC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	136.052429
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	1.13
IP(EA), eV:	-10.38(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CC1=O)C

DOS

IR

Vibrations