Geometry & MOs

Info

ID:	430024
PubChem CID:	135170081
Reduced:	NF2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	369.098806
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	3.74
IP(EA), eV:	-9.69(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[3-[3-(trifluoromethyl)phenyl]morpholin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C1COCC(N1C2=C(C=C(C=C2)C(=O)O)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations