Geometry & MOs

Info

ID:	221582
PubChem CID:	85280579
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	3.37
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,9,14-trimethyl-6,13-dioxatetracyclo[8.4.0.03,7.012,14]tetradec-9-en-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC23CCCCC2O3

DOS

IR

Vibrations