Geometry & MOs

Info

ID:	406553
PubChem CID:	135078028
Reduced:	ON2F3C5H5 (1)
Stoich.:	AB2C3D5E5 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	-177.09
Dipole, Da:	5.58
IP(EA), eV:	-10.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-pentoxy-2-[[3-(trifluoromethoxy)anilino]diazenyl]benzonitrile

Drug info:

PubChemData

Smile

C1C=NC(C(=O)N1)C(F)(F)F

DOS

IR

Vibrations