Geometry & MOs

Info

ID:	40382
PubChem CID:	8144021
Reduced:	FO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-28.54
Dipole, Da:	9.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790925
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)F)C(=O)C2=O)C4=CC=CC=C4

DOS

IR

Vibrations