Geometry & MOs

Info

ID:	374676
PubChem CID:	131342385
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	208.005497
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	7.77
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-thiazol-5-yl)-1,2,4-triazine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=NC=C2C(=C1O)CCCN2

DOS

IR

Vibrations