Geometry & MOs

Info

ID:	320162
PubChem CID:	126658512
Reduced:	OF3N5H12C17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	374.070116
ΔH_f, kcal/mol:	-40.14
Dipole, Da:	2.55
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[4-chloro-2-(cyclohex-3-en-1-ylmethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC2=NN(C(=N)C=C2)C=N)C3=CN=CC=C3)C(F)(F)F

DOS

IR

Vibrations