Geometry & MOs

Info

ID:	212634
PubChem CID:	81061274
Reduced:	ClON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	306.187818
ΔH_f, kcal/mol:	16.88
Dipole, Da:	4.54
IP(EA), eV:	-9.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butan-2-ylpiperazin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations