Geometry & MOs

Info

ID:	320145
PubChem CID:	126658480
Reduced:	ClON5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	349.073038
ΔH_f, kcal/mol:	84.84
Dipole, Da:	4.36
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-cyclohexa-2,4-dien-1-ylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=CN=CN=C2)OC3=NN=C(C=C3)N

DOS

IR

Vibrations