Geometry & MOs

Info

ID:	40533
PubChem CID:	8144283
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	380.161031
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	5.06
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@H]1C[C@@H]1C(=O)NNC=C2C=C(C=CC2=O)OC

DOS

IR

Vibrations