Geometry & MOs

Info

ID:	207808
PubChem CID:	80452757
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	272.096106
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	6.69
IP(EA), eV:	-9.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-aminophenyl)-2-hydroxyethoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CO1)OC2=CC(=C(C=C2)C#N)F)N

DOS

IR

Vibrations