Geometry & MOs

Info

ID:	417034
PubChem CID:	135091143
Reduced:	F2O2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-137.54
Dipole, Da:	4.92
IP(EA), eV:	-9.36(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1C(F)F)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations