Geometry & MOs

Info

ID:	197284
PubChem CID:	78947177
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-33.56
Dipole, Da:	1.17
IP(EA), eV:	-8.69(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-[[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)N)OCC=C(C)C

DOS

IR

Vibrations