Geometry & MOs

Info

ID:	368490
PubChem CID:	127329108
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	5.42
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CCOC(C)C1=NC(=CS1)CC(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations