Geometry & MOs

Info

ID:	414665
PubChem CID:	135087624
Reduced:	ClON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	2.64
IP(EA), eV:	-8.55(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=C(C=C3)Cl)CO

DOS

IR

Vibrations