Geometry & MOs

Info

ID:	224764
PubChem CID:	85349393
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-174.34
Dipole, Da:	3.4
IP(EA), eV:	-9.67(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-6-ene-8,13-dione

Drug info:

PubChemData

Smile

CC(C1C(CC(O1)OC)(C)OCC2=CC=CC=C2)O

DOS

IR

Vibrations