Geometry & MOs

Info

ID:	142445
PubChem CID:	53035075
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	296.073182
ΔH_f, kcal/mol:	13.9
Dipole, Da:	5.39
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations