Geometry & MOs

Info

ID:	212289
PubChem CID:	81060027
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	303.120547
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CC2CC(C2)O

DOS

IR

Vibrations