Geometry & MOs

Info

ID:	403154
PubChem CID:	135058994
Reduced:	PN3O5C16H24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	329.056719
ΔH_f, kcal/mol:	-212.24
Dipole, Da:	6.66
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-(3-ethoxyanilino)phthalazine-5,8-dione

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N=NN1C2=CC=C(C=C2)OC)CCCO)OCC

DOS

IR

Vibrations