Geometry & MOs

Info

ID:	978
PubChem CID:	3611
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	3.97
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations