Geometry & MOs

Info

ID:	373182
PubChem CID:	131311203
Reduced:	FNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	225.020812
ΔH_f, kcal/mol:	-46.5
Dipole, Da:	4.36
IP(EA), eV:	-10.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(4-methyl-1,2,5-thiadiazol-3-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)CO)C#N

DOS

IR

Vibrations