Geometry & MOs

Info

ID:	275691
PubChem CID:	103817109
Reduced:	ClN3O3C8H8 (1)
Stoich.:	AB3C3D8E8 (1)
Weight, g/mol:	302.068287
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	3.1
IP(EA), eV:	-10.34(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations