Geometry & MOs

Info

ID:	4117
PubChem CID:	10789
Reduced:	O2H6C7 (1)
Stoich.:	A2B6C7 (1)
Weight, g/mol:	122.036779
ΔH_f, kcal/mol:	11.78
Dipole, Da:	3.3
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations