Geometry & MOs

Info

ID:	41454
PubChem CID:	8145914
Reduced:	NOSH19C25 (1)
Stoich.:	ABCD19E25 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	58.4
Dipole, Da:	5.42
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-chloroindole-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=CC=CC=C4

DOS

IR

Vibrations