Geometry & MOs

Info

ID:	3461
PubChem CID:	9688
Reduced:	OH4C6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	184.052429
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	1.48
IP(EA), eV:	-9.76(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C=CC2=O

DOS

IR

Vibrations