Geometry & MOs

Info

ID:	153298
PubChem CID:	56312477
Reduced:	FN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	444.223592
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	2.74
IP(EA), eV:	-9.38(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations