Geometry & MOs

Info

ID:	164712
PubChem CID:	74442228
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	375.120563
ΔH_f, kcal/mol:	-12.87
Dipole, Da:	4.54
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxophthalazin-2-ium-2-yl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC3C=CC4=NC5=CC=CC=C5C(=O)C4=C3

DOS

IR

Vibrations