Geometry & MOs

Info

ID:	41191
PubChem CID:	8145426
Reduced:	ClFO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	373.099333
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795243
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations