Geometry & MOs

Info

ID:	154530
PubChem CID:	56313987
Reduced:	FN3O3H22C27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	452.159278
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	4.25
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]piperidin-2-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NC=CC(=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations