Geometry & MOs

Info

ID:	209194
PubChem CID:	80637525
Reduced:	ISN3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	25.02
Dipole, Da:	2.07
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(N,2-dimethylanilino)pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)C2CCCS2)NC)I

DOS

IR

Vibrations