Geometry & MOs

Info

ID:	389123
PubChem CID:	134991240
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	1.59
IP(EA), eV:	-9.85(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,13-dioxatricyclo[7.5.0.02,7]tetradeca-5,10-dien-4-one

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H]2CC[C@H]1C=C2)C(=O)OC

DOS

IR

Vibrations