Geometry & MOs

Info

ID:	420432
PubChem CID:	135113066
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	2.39
IP(EA), eV:	-8.23(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(5-acetyl-4-methylpyrimidin-2-yl)amino]ethyl]-2H-phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCSC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations