Geometry & MOs

Info

ID:	341519
PubChem CID:	127264212
Reduced:	ClNO2C8H16 (1)
Stoich.:	ABC2D8E16 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-134.8
Dipole, Da:	1.82
IP(EA), eV:	-9.08(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[[(1R)-1-phenylethyl]amino]oxolane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCNC[C@@H]1C(=O)OC.Cl

DOS

IR

Vibrations