Geometry & MOs

Info

ID:	124394
PubChem CID:	50881255
Reduced:	ClN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	406.120796
ΔH_f, kcal/mol:	7.76
Dipole, Da:	3.43
IP(EA), eV:	-7.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C(=C2)N)Cl)N

DOS

IR

Vibrations