Geometry & MOs

Info

ID:	284844
PubChem CID:	104076740
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	291.046235
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	4.26
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenoxy)-4-[(1R)-1-hydroxyethyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)C#N)OC2=CC(=C(C=C2)F)Cl)O

DOS

IR

Vibrations