Geometry & MOs

Info

ID:	357651
PubChem CID:	127294324
Reduced:	F3N7C16H18 (1)
Stoich.:	A3B7C16D18 (1)
Weight, g/mol:	351.141928
ΔH_f, kcal/mol:	-39.05
Dipole, Da:	13.24
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations