Geometry & MOs

Info

ID:	285426
PubChem CID:	104104339
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	5.98
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-methylthiophen-2-yl)-1-(oxazinan-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C=C/C(=O)N2CCCCO2

DOS

IR

Vibrations