Geometry & MOs

Info

ID:	327124
PubChem CID:	126689043
Reduced:	Cl2F3N6C15H17 (1)
Stoich.:	A2B3C6D15E17 (1)
Weight, g/mol:	408.084384
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	7.59
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)-5-(1,2,2-trifluoroethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC=C1C2=C(C=C(C=C2Cl)NC3=NNC(=N3)N)C(CF)(F)F.Cl

DOS

IR

Vibrations