Geometry & MOs

Info

ID:	159669
PubChem CID:	57288607
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	393.19738
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	3.74
IP(EA), eV:	-9.25(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-5-[2-[3-(phenoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]ethylsulfanyl]hexanamide

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)OCN1C=CN=C1C

DOS

IR

Vibrations