Geometry & MOs

Info

ID:	288516
PubChem CID:	104318013
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	237.080121
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	1.65
IP(EA), eV:	-7.88(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-(3-hydroxybutyl)indole-2,3-dione

Drug info:

PubChemData

Smile

CCCN(CCC(C)O)C1=CC=C(C=C1)N

DOS

IR

Vibrations