Geometry & MOs

Info

ID:	30424
PubChem CID:	841310
Reduced:	N2O3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	313.122655
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924648
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-acetamidophenyl)ethylideneamino]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)OC

DOS

IR

Vibrations