Geometry & MOs

Info

ID:	176372
PubChem CID:	76039343
Reduced:	NOSC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	3.82
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylthiophen-3-yl)-6-oxo-3H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C2CCNC(=O)C2

DOS

IR

Vibrations