Geometry & MOs

Info

ID:	197136
PubChem CID:	78928429
Reduced:	FOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	0.74
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CNC2CCSC3=C2C=C(C=C3)F

DOS

IR

Vibrations