Geometry & MOs

Info

ID:	12669
PubChem CID:	143239
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	4.16
IP(EA), eV:	-8.93(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC(=O)CC2)C=C1C

DOS

IR

Vibrations