Geometry & MOs

Info

ID:	220226
PubChem CID:	85176906
Reduced:	FO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	224.08373
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	2.1
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methylphenyl)ethenyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C1=CC=CC=C1)F)OC

DOS

IR

Vibrations