Geometry & MOs

Info

ID:	314609
PubChem CID:	126622441
Reduced:	O2F3N8H15C19 (1)
Stoich.:	A2B3C8D15E19 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	5.15
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(6-methylpyridin-2-yl)-1,2,3,6-tetrahydropyridine-2-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=NC=CC(=C1)NC2=NC(=NC3=C2NC=N3)C4=NC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations