Geometry & MOs

Info

ID:	41159
PubChem CID:	8145380
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	424.187246
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	3.2
IP(EA), eV:	-8.43(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C(=CC(=C3)CC=C)OC)O

DOS

IR

Vibrations