Geometry & MOs

Info

ID:	240597
PubChem CID:	93616669
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	4.41
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-N-(4-chloro-3-cyanophenyl)-2,6-dimethylmorpholine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations