Geometry & MOs

Info

ID:	374095
PubChem CID:	131323635
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	234.046299
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	0.55
IP(EA), eV:	-9.01(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethylphenyl)thiadiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COCCC1=CC2=C(C[C@H](CC2)N)C=C1

DOS

IR

Vibrations