Geometry & MOs

Info

ID:	284843
PubChem CID:	104076739
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	291.046235
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	2.69
IP(EA), eV:	-9.67(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C#N)OC2=CC(=C(C=C2)F)Cl)O

DOS

IR

Vibrations