Geometry & MOs

Info

ID:	285427
PubChem CID:	104104340
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	3.58
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenoxy)-1-(oxazinan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)N2CCCCO2

DOS

IR

Vibrations