Geometry & MOs

Info

ID:	216288
PubChem CID:	85085991
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	250.052447
ΔH_f, kcal/mol:	37.85
Dipole, Da:	8.34
IP(EA), eV:	-8.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2CC(C(=O)NC2N(N1)C3=CC=CC=C3)C#N

DOS

IR

Vibrations