Geometry & MOs

Info

ID:	211863
PubChem CID:	81054817
Reduced:	ISN3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	65.88
Dipole, Da:	3.34
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(oxan-2-ylmethylamino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=CC=CC=C2I

DOS

IR

Vibrations