Geometry & MOs

Info

ID:	386541
PubChem CID:	134982081
Reduced:	OH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	1.48
IP(EA), eV:	-8.94(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3-methylphenyl)cyclooct-5-ene-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(C=CC3=C2C(=O)CC3)O

DOS

IR

Vibrations