Geometry & MOs

Info

ID:	4159
PubChem CID:	10881
Reduced:	OH6C7 (1)
Stoich.:	AB6C7 (1)
Weight, g/mol:	106.041865
ΔH_f, kcal/mol:	51.48
Dipole, Da:	3.31
IP(EA), eV:	-9.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations