Geometry & MOs

Info

ID:	406557
PubChem CID:	135078032
Reduced:	O2Cl3N4H15C17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	412.091388
ΔH_f, kcal/mol:	26.31
Dipole, Da:	1.09
IP(EA), eV:	-8.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropoxy)-5-methoxy-2-[[3-(trifluoromethyl)anilino]diazenyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C#N)N=NNC2=CC(=C(C=C2)Cl)Cl)OCCCCl

DOS

IR

Vibrations