Geometry & MOs

Info

ID:	373873
PubChem CID:	131320887
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	236.036797
ΔH_f, kcal/mol:	1.26
Dipole, Da:	2.51
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2Cl)CC(C#N)N

DOS

IR

Vibrations