Geometry & MOs

Info

ID:	373520
PubChem CID:	131316446
Reduced:	FO2N3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	223.016396
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	5.1
IP(EA), eV:	-9.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NON=C2N)F

DOS

IR

Vibrations