Geometry & MOs

Info

ID:	311984
PubChem CID:	126600387
Reduced:	ClN2F3O5H12C13 (1)
Stoich.:	AB2C3D5E12F13 (1)
Weight, g/mol:	383.10929
ΔH_f, kcal/mol:	-270.24
Dipole, Da:	5.61
IP(EA), eV:	-10.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-4-nitrophenyl)-5-(pyridin-4-yloxymethyl)-2-(trifluoromethyl)-1,3-oxazolidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations