Geometry & MOs

Info

ID:	407466
PubChem CID:	135080182
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	17.94
Dipole, Da:	2.26
IP(EA), eV:	-9.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-methyl-4-phenylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations