Geometry & MOs

Info

ID:	313048
PubChem CID:	126610968
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	5.43
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-ethyl-2-methyl-3-(3-methyl-4-nitrophenyl)-1,3-oxazolidine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CN([C@H](O1)C)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations