Geometry & MOs

Info

ID:	304436
PubChem CID:	124594622
Reduced:	ClN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	1.56
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-(propan-2-ylamino)propan-1-one

Drug info:

PubChemData

Smile

CNC[C@H]1CCCN(C1)C(=O)/C=C/C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations