Geometry & MOs

Info

ID:	211013
PubChem CID:	80883806
Reduced:	FON4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	273.054969
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	7.9
IP(EA), eV:	-9.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-nitrophenoxy)-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1OC2=CC(=C(C=C2)C#N)F)N

DOS

IR

Vibrations