Geometry & MOs

Info

ID:	373221
PubChem CID:	131311818
Reduced:	ClON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	195.071785
ΔH_f, kcal/mol:	4.51
Dipole, Da:	3.02
IP(EA), eV:	-9.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-5-propan-2-ylpyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1[C@@H](C2=CC(=C(C=C2CO1)Cl)C#N)N

DOS

IR

Vibrations