Geometry & MOs

Info

ID:	153791
PubChem CID:	56313102
Reduced:	FO3N5H26C28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	418.171556
ΔH_f, kcal/mol:	10.79
Dipole, Da:	4.27
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations