Geometry & MOs

Info

ID:	430025
PubChem CID:	135170082
Reduced:	NO3F4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	315.127072
ΔH_f, kcal/mol:	-276.39
Dipole, Da:	5.2
IP(EA), eV:	-9.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[(2R)-2-methyl-5-phenylmorpholin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations