Geometry & MOs

Info

ID:	357646
PubChem CID:	127294319
Reduced:	F3N8C14H15 (1)
Stoich.:	A3B8C14D15 (1)
Weight, g/mol:	380.168477
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	8.81
IP(EA), eV:	-9.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)CN4C=NC=N4

DOS

IR

Vibrations