Geometry & MOs

Info

ID:	207809
PubChem CID:	80452758
Reduced:	FN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	274.091769
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	7.4
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-1-(2-fluorophenyl)ethoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(COC2=CC(=C(C=C2)C#N)F)O)N

DOS

IR

Vibrations