Geometry & MOs

Info

ID:	380304
PubChem CID:	134970714
Reduced:	F2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	313.116152
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	3.08
IP(EA), eV:	-9.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-3,4,5,6-tetramethoxy-1H-isoindole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/[C@@H]1C(C1(F)F)C2=CC=CC=C2

DOS

IR

Vibrations