Geometry & MOs

Info

ID:	242150
PubChem CID:	96079300
Reduced:	FN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	241.090292
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	4.44
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-fluorophenyl)-hydroxymethyl]-4-methylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H](C2=NC3=C(O2)C=C(C=C3)N)O)F

DOS

IR

Vibrations