Geometry & MOs

Info

ID:	216281
PubChem CID:	85085983
Reduced:	NO2H11C16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	95.02
Dipole, Da:	7.22
IP(EA), eV:	-9.32(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[[(4-methylpyridin-2-yl)amino]methylidene]-1,3-thiazol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC#CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations