Geometry & MOs

Info

ID:	430023
PubChem CID:	135170080
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	319.102
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	3.29
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCONOC1=CN=C(C=C1)C(=O)N2CC2

DOS

IR

Vibrations