Geometry & MOs

Info

ID:	323328
PubChem CID:	126674174
Reduced:	ClN7C15H20 (1)
Stoich.:	AB7C15D20 (1)
Weight, g/mol:	459.185765
ΔH_f, kcal/mol:	73.69
Dipole, Da:	2.11
IP(EA), eV:	-8.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-azabicyclo[3.2.1]octan-8-yl)-5-(trifluoromethyl)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N(C2CC3CNCC3C2)C4=NC=C(C(=N4)N)Cl

DOS

IR

Vibrations