Geometry & MOs

Info

ID:	159759
PubChem CID:	57288720
Reduced:	PO3C24H34 (1)
Stoich.:	AB3C24D34 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	3.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835764
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-3-[(2,4-dihydroxy-3-methylphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)CCC)O[P+](=O)OC2=C(C=CC(=C2)CCC)CCC

DOS

IR

Vibrations