Geometry & MOs

Info

ID:	216273
PubChem CID:	85085973
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	7.08
IP(EA), eV:	-9.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,11,11-trimethyl-4,14-dioxatetracyclo[6.5.1.02,6.09,13]tetradec-2(6)-en-5-one

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC12CC(C1(C)C)C(=O)C=C2C

DOS

IR

Vibrations