Geometry & MOs

Info

ID:	407710
PubChem CID:	135080465
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	1.19
IP(EA), eV:	-8.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pent-1-en-3-one

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CN=C21)NC(C)C(=O)OC

DOS

IR

Vibrations