Geometry & MOs

Info

ID:	41057
PubChem CID:	8145186
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	366.181767
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	4.5
IP(EA), eV:	-8.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)O

DOS

IR

Vibrations