Geometry & MOs

Info

ID:	212343
PubChem CID:	81060216
Reduced:	ON2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	306.187818
ΔH_f, kcal/mol:	63.24
Dipole, Da:	5.47
IP(EA), eV:	-9.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations