Geometry & MOs

Info

ID:	41058
PubChem CID:	8145187
Reduced:	NOC7H8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	8.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940793
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations