Geometry & MOs

Info

ID:	285389
PubChem CID:	104104173
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	285.059028
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	4.38
IP(EA), eV:	-9.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)sulfanyl-1-(oxazinan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)COCC2=CC=CC=C2

DOS

IR

Vibrations