Geometry & MOs

Info

ID:	310533
PubChem CID:	126581681
Reduced:	ON2C20H28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-8.63
Dipole, Da:	2.51
IP(EA), eV:	-8.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-2,3-dihydro-1H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(CC3C4[C@@]2(CCNC4)CCN3CC5CC5)C=C1

DOS

IR

Vibrations