Geometry & MOs

Info

ID:	285400
PubChem CID:	104104200
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	3.05
IP(EA), eV:	-9.02(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCCCO2

DOS

IR

Vibrations