Geometry & MOs

Info

ID:	406555
PubChem CID:	135078030
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	412.026059
ΔH_f, kcal/mol:	-165.34
Dipole, Da:	4.68
IP(EA), eV:	-8.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropoxy)-2-[(3,5-dichloroanilino)diazenyl]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C(=C1)N=NNC2=CC=C(C=C2)OC(F)(F)F)C#N)OC

DOS

IR

Vibrations