Geometry & MOs

Info

ID:	161587
PubChem CID:	57392071
Reduced:	ClNF2O4C22H26 (1)
Stoich.:	ABC2D4E22F26 (1)
Weight, g/mol:	405.175165
ΔH_f, kcal/mol:	-261.38
Dipole, Da:	5.33
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-fluoro-2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=C(C=C3)F)O.Cl

DOS

IR

Vibrations