Geometry & MOs

Info

ID:	85003
PubChem CID:	49871282
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	4.23
IP(EA), eV:	-9.24(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,9-trimethylspiro[5.5]undeca-4,9-dien-3-one

Drug info:

PubChemData

Smile

CC1CC=CC(=O)C12CCC(=CC2)C

DOS

IR

Vibrations