Geometry & MOs

Info

ID:	171590
PubChem CID:	75399919
Reduced:	ClON5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	86.15
Dipole, Da:	8.81
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-oxo-3-(2-phenylsulfanylethyl)phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CO/N=C(\C3=CC(=CC=C3)Cl)/N

DOS

IR

Vibrations