Geometry & MOs

Info

ID:	212606
PubChem CID:	81061176
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	264.140868
ΔH_f, kcal/mol:	-12.67
Dipole, Da:	4.17
IP(EA), eV:	-9.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-methylpiperazin-1-yl)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=C(C=C2)CO

DOS

IR

Vibrations