Geometry & MOs

Info

ID:	41107
PubChem CID:	8145262
Reduced:	NO2H15C25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	111.53
Dipole, Da:	6.95
IP(EA), eV:	-8.92(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C3C(=CC=C2)C(=CC=C3C1=C4C5=CC=CC=C5C6=CC=CC=C64)[N+](=O)[O-]

DOS

IR

Vibrations