Geometry & MOs

Info

ID:	406554
PubChem CID:	135078029
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	-166.91
Dipole, Da:	5.33
IP(EA), eV:	-8.61(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-pentoxy-2-[[4-(trifluoromethoxy)anilino]diazenyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations