Geometry & MOs

Info

ID:	130137
PubChem CID:	51075025
Reduced:	ClSN3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	44.73
Dipole, Da:	1.38
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-2-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C=C(CN1CCN(CC1)C2=NC=CS2)Cl

DOS

IR

Vibrations