Geometry & MOs

Info

ID:	207810
PubChem CID:	80452759
Reduced:	OF2N2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	310.03429
ΔH_f, kcal/mol:	-54.25
Dipole, Da:	8.01
IP(EA), eV:	-9.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-1-(5-chlorothiophen-2-yl)propoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CN)OC2=CC(=C(C=C2)C#N)F)F

DOS

IR

Vibrations