Geometry & MOs

Info

ID:	261538
PubChem CID:	103239041
Reduced:	FNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	3.13
IP(EA), eV:	-9.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-fluorophenyl)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)NCCC1=CC(=CC=C1)F

DOS

IR

Vibrations