Geometry & MOs

Info

ID:	41190
PubChem CID:	8145423
Reduced:	FN3O5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	374.107158
ΔH_f, kcal/mol:	-227.21
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761223
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations