Geometry & MOs

Info

ID:	128421
PubChem CID:	51043244
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	66.82
Dipole, Da:	4.69
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CN2C(=O)N=C(N2)CNC3=CC=C(C=C3)Cl

DOS

IR

Vibrations