Geometry & MOs

Info

ID:	70914
PubChem CID:	48414040
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	313.117489
ΔH_f, kcal/mol:	2.01
Dipole, Da:	6.79
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations