Geometry & MOs

Info

ID:	398118
PubChem CID:	135031850
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	375.159634
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	4.87
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2,4,4-triacetyl-3,5-diphenylcyclohexen-1-olate

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1)/C(=C)O

DOS

IR

Vibrations