Geometry & MOs

Info

ID:	153364
PubChem CID:	56312550
Reduced:	SN2F3O4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	466.207942
ΔH_f, kcal/mol:	-277.81
Dipole, Da:	6.7
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NNC(=O)C2=CC3=C(S2)CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations