Geometry & MOs

Info

ID:	268883
PubChem CID:	103601612
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	226.066617
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	4.54
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S

DOS

IR

Vibrations