Geometry & MOs

Info

ID:	37756
PubChem CID:	8024135
Reduced:	FN3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	1.46
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations