Geometry & MOs

Info

ID:	20125
PubChem CID:	579800
Reduced:	ClFN3O3H13C15 (1)
Stoich.:	ABC3D3E13F15 (1)
Weight, g/mol:	337.062947
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	8.66
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-4-nitroanilino)ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)F

DOS

IR

Vibrations