Geometry & MOs

Info

ID:	372033
PubChem CID:	131287923
Reduced:	INOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	169.01975
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	3.69
IP(EA), eV:	-9.47(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-oxo-1H-pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(CC2=O)N)I

DOS

IR

Vibrations