Geometry & MOs

Info

ID:	9979
PubChem CID:	95786
Reduced:	O3H12C14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-52.19
Dipole, Da:	3.35
IP(EA), eV:	-8.98(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC(=O)C=CC2=O

DOS

IR

Vibrations