Geometry & MOs

Info

ID:	11999
PubChem CID:	125749
Reduced:	O3H4C6 (3)
Stoich.:	A3B4C6 (3)
Weight, g/mol:	372.048132
ΔH_f, kcal/mol:	-261.73
Dipole, Da:	3.24
IP(EA), eV:	-9.03(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),7,11,13,15(19)-hexaene-9,16-dione

Drug info:

PubChemData

Smile

COC1=C(C(=C2C3=C1C(=O)OC4=C3C(=CC5=C4OCO5)C(=O)O2)OC)OC

DOS

IR

Vibrations