Geometry & MOs

Info

ID:	386746
PubChem CID:	134982771
Reduced:	NO3C15H15 (3)
Stoich.:	AB3C15D15 (3)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-68.43
Dipole, Da:	5.97
IP(EA), eV:	-8.17(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(methoxymethyl)-7-methyl-4,11,15-trioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),7-trien-5-one

Drug info:

PubChemData

Smile

COCOC1=C2COCC3=CC(=CC(=C3OCOC)COCC4=C(C(=CC(=C4)C5=CC=NC=C5)COCC1=CC(=C2)C6=CC=NC=C6)OCOC)C7=CC=NC=C7

DOS

IR

Vibrations