Geometry & MOs

Info

ID:	242204
PubChem CID:	96079580
Reduced:	FNOC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	232.089958
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	2.71
IP(EA), eV:	-8.22(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(2-fluorophenyl)-hydroxymethyl]-4-methylphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations