Geometry & MOs

Info

ID:	324033
PubChem CID:	126676790
Reduced:	SN3O3H13C17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	-24.8
Dipole, Da:	6.01
IP(EA), eV:	-8.15(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CN3C4=C(C=C(C=C4)O)SC3=N2

DOS

IR

Vibrations