Geometry & MOs

Info

ID:	372513
PubChem CID:	131299042
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	207.010248
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	2.28
IP(EA), eV:	-8.63(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)O)C=CCN

DOS

IR

Vibrations