Geometry & MOs

Info

ID:	153904
PubChem CID:	56313240
Reduced:	FN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	479.203191
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	4.2
IP(EA), eV:	-8.61(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoylamino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations