Geometry & MOs

Info

ID:	396268
PubChem CID:	135027891
Reduced:	O3H10C13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	411.095417
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	8.22
IP(EA), eV:	-8.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-5-methoxy-2-(5-methoxyimino-8-oxobenzo[f][1,3]benzodioxol-6-yl)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C3=C(C4=CC5=C(C=C4CC3)OCO5)OC(=O)C2=C1)OCC6=CC=CC=C6

DOS

IR

Vibrations