Geometry & MOs

Info

ID:	449738
PubChem CID:	135301066
Reduced:	FICl2P2N3O4C19H21 (1)
Stoich.:	ABC2D2E3F4G19H21 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-243.32
Dipole, Da:	2.52
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(3-methylbutoxy)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=NN(C2=C1C=C(C=C2)OC(C)C3=C(C=NC=C3Cl)Cl)PI)F)OCC

DOS

IR

Vibrations