Geometry & MOs

Info

ID:	197439
PubChem CID:	78965658
Reduced:	ON5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	244.041882
ΔH_f, kcal/mol:	58.69
Dipole, Da:	6.25
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)N)NC(=O)C2=CNN=C2

DOS

IR

Vibrations