Geometry & MOs

Info

ID:	373571
PubChem CID:	131317431
Reduced:	ClFN2H4C7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	243.012077
ΔH_f, kcal/mol:	-3.16
Dipole, Da:	7.28
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C#N)F)Cl)N

DOS

IR

Vibrations