Geometry & MOs

Info

ID:	178514
PubChem CID:	76340068
Reduced:	BrO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	375.120563
ΔH_f, kcal/mol:	-8.28
Dipole, Da:	2.31
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxophthalazin-2-ium-2-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CNC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations