Geometry & MOs

Info

ID:	355290
PubChem CID:	127288247
Reduced:	SN6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	338.121527
ΔH_f, kcal/mol:	93.36
Dipole, Da:	6.51
IP(EA), eV:	-8.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C3=NN4C=C(N=C4S3)C

DOS

IR

Vibrations