Geometry & MOs

Info

ID:	323908
PubChem CID:	126676542
Reduced:	F3N8C22H29 (1)
Stoich.:	A3B8C22D29 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	5.59
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclononylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=CC(=C2)CN=C(/C(=C\N)/CC3=CC(=NC(=C3N)NN)N)C(F)(F)F

DOS

IR

Vibrations