Geometry & MOs

Info

ID:	266507
PubChem CID:	103567921
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	287.095771
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	6.36
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC2=CC(=CC(=C2)OC)C#N)O

DOS

IR

Vibrations