Geometry & MOs

Info

ID:	242198
PubChem CID:	96079574
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	230.110693
ΔH_f, kcal/mol:	-44.96
Dipole, Da:	3.45
IP(EA), eV:	-9.34(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2,6-dimethylphenyl)-(2-fluorophenyl)methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)[C@H](C2=CC=CC=C2F)O

DOS

IR

Vibrations