Geometry & MOs

Info

ID:	406529
PubChem CID:	135077962
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	348.078932
ΔH_f, kcal/mol:	43.72
Dipole, Da:	5.49
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluoroanilino)diazenyl]-4-ethoxy-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)N=NNC2=CC=C(C=C2)C)C#N)OC

DOS

IR

Vibrations