Geometry & MOs

Info

ID:	83918
PubChem CID:	49862530
Reduced:	O2N3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	268.101191
ΔH_f, kcal/mol:	52.28
Dipole, Da:	3.89
IP(EA), eV:	-9.69(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(3-ethylphenyl)-5-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations