Geometry & MOs

Info

ID:	154856
PubChem CID:	56314398
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	452.159278
ΔH_f, kcal/mol:	-223.52
Dipole, Da:	6.98
IP(EA), eV:	-9.13(-1.08)
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-4-yl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations