Geometry & MOs

Info

ID:	206328
PubChem CID:	80232364
Reduced:	OSCl2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	350.11061
ΔH_f, kcal/mol:	-16.39
Dipole, Da:	2.83
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C2=C(C(=CC=C2)Cl)Cl)O

DOS

IR

Vibrations