Geometry & MOs

Info

ID:	285420
PubChem CID:	104104312
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	4.03
IP(EA), eV:	-9.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxazinan-2-yl)-2-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CC2=CC=CS2

DOS

IR

Vibrations