Geometry & MOs

Info

ID:	157743
PubChem CID:	56436895
Reduced:	NF3O3H14C20 (1)
Stoich.:	AB3C3D14E20 (1)
Weight, g/mol:	441.198774
ΔH_f, kcal/mol:	-177.92
Dipole, Da:	3.82
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)COC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F

DOS

IR

Vibrations