Geometry & MOs

Info

ID:	407194
PubChem CID:	135079527
Reduced:	N4O5H16C18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	227.074642
ΔH_f, kcal/mol:	-24.57
Dipole, Da:	2.33
IP(EA), eV:	-9.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzylidene-4-fluorobenzamide

Drug info:

PubChemData

Smile

CO/C(=C(/C(=O)N(CCC1=CC=CC=C1)C2=CC=C(C=C2)[N+](=O)[O-])\[N+]#N)/[O-]

DOS

IR

Vibrations