Geometry & MOs

Info

ID:	242213
PubChem CID:	96079592
Reduced:	FNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	252.035335
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	3.29
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(R)-(2-fluorophenyl)-hydroxymethyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H](C2=CC3=C(C=C2)NC=C3)O)F

DOS

IR

Vibrations