Geometry & MOs

Info

ID:	154826
PubChem CID:	56314363
Reduced:	FN3O3H24C26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	441.156321
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	3.59
IP(EA), eV:	-9.46(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenyl)morpholin-4-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations