Geometry & MOs

Info

ID:	41063
PubChem CID:	8145197
Reduced:	ClN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	12.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851545
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

DOS

IR

Vibrations