Geometry & MOs

Info

ID:	212420
PubChem CID:	81060486
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	308.203468
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	3.61
IP(EA), eV:	-10.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OCCO

DOS

IR

Vibrations