Geometry & MOs

Info

ID:	357645
PubChem CID:	127294318
Reduced:	F3N8C15H17 (1)
Stoich.:	A3B8C15D17 (1)
Weight, g/mol:	352.137177
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	6.83
IP(EA), eV:	-9.87(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN2CC(CCC2=N1)NC3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations