Geometry & MOs

Info

ID:	4449
PubChem CID:	11424
Reduced:	OC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	136.052429
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	3.91
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC=C1)O

DOS

IR

Vibrations