Geometry & MOs

Info

ID:	55485
PubChem CID:	17395448
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	3.43
IP(EA), eV:	-8.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations