Geometry & MOs

Info

ID:	287634
PubChem CID:	104249557
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	3.99
IP(EA), eV:	-9.3(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-yl)-3-(1,3-thiazol-2-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CC(=O)CC(C)OC

DOS

IR

Vibrations