Geometry & MOs

Info

ID:	41062
PubChem CID:	8145196
Reduced:	OSN5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	400.142794
ΔH_f, kcal/mol:	68.99
Dipole, Da:	3.26
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

DOS

IR

Vibrations