Geometry & MOs

Info

ID:	430026
PubChem CID:	135170083
Reduced:	FNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	301.111422
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	5.9
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[(3S)-3-phenylmorpholin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(CO1)C2=CC=CC=C2)C3=C(C=C(C=C3)C(=O)O)F

DOS

IR

Vibrations