Geometry & MOs

Info

ID:	20037
PubChem CID:	577257
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	4.25
IP(EA), eV:	-9.42(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-2,3,3a,7-tetrahydro-1H-cyclopenta[8]annulen-8-one

Drug info:

PubChemData

Smile

CC1(CC(=O)C=C2CCCC2C=C1)C

DOS

IR

Vibrations