Geometry & MOs

Info

ID:	25582
PubChem CID:	626841
Reduced:	O5H14C17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	5.54
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,10-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-9-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C(=O)C3(O2)C(O3)C4=CC=CC=C4)OC

DOS

IR

Vibrations