Geometry & MOs

Info

ID:	243073
PubChem CID:	99215400
Reduced:	F2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	416.212473
ΔH_f, kcal/mol:	-178.56
Dipole, Da:	2.92
IP(EA), eV:	-9.28(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations