Geometry & MOs

Info

ID:	29591
PubChem CID:	835598
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	319.100857
ΔH_f, kcal/mol:	31.37
Dipole, Da:	5.78
IP(EA), eV:	-9.48(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzoylphenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations