Geometry & MOs

Info

ID:	212210
PubChem CID:	81059829
Reduced:	N4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	303.120547
ΔH_f, kcal/mol:	70.79
Dipole, Da:	5.46
IP(EA), eV:	-9.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations