Geometry & MOs

Info

ID:

88646

PubChem CID:

49955896

Reduced:

ClON2C13H22 (1)

Stoich.:

ABC2D13E22 (1)

Weight, g/mol:

386.101992

ΔHf, kcal/mol:

-1.49

Dipole, Da:

4.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one;chloride

Drug info:

PubChemData

Smile

CCCCOCCCNCC1=CC=NC=C1.[Cl-]

DOS

IR

Vibrations