Geometry & MOs

Info

ID:	304417
PubChem CID:	124588063
Reduced:	O2F3N4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-236.25
Dipole, Da:	5.83
IP(EA), eV:	-9.31(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@](CCNC(=O)[C@@H]2CCCCN2)(C(F)(F)F)O

DOS

IR

Vibrations