Geometry & MOs

Info

ID:	320124
PubChem CID:	126658347
Reduced:	N2O2C14H15 (2)
Stoich.:	A2B2C14D15 (2)
Weight, g/mol:	306.091689
ΔH_f, kcal/mol:	-97.53
Dipole, Da:	3.11
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(2-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CCCCC1=CN(C=N1)CC2=CC=C(C=C2)COC3=CC=CC4=C3CN(C4=O)C5CCC(=O)NC5=O

DOS

IR

Vibrations