Geometry & MOs

Info

ID:	57832
PubChem CID:	24277612
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	258.055304
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	2.11
IP(EA), eV:	-8.26(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(CC3(O2)CCCCC3)N)C

DOS

IR

Vibrations