Geometry & MOs

Info

ID:	242215
PubChem CID:	96079620
Reduced:	FNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	246.069222
ΔH_f, kcal/mol:	-45.58
Dipole, Da:	0.99
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(2-fluorophenyl)-hydroxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations