Geometry & MOs

Info

ID:	445558
PubChem CID:	135268073
Reduced:	NH14C22 (2)
Stoich.:	AB14C22 (2)
Weight, g/mol:	238.073613
ΔH_f, kcal/mol:	243.09
Dipole, Da:	5.23
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E)-5-chloro-1,1,1-trifluoro-2,4-dimethylnona-2,4,6-triene

Drug info:

PubChemData

Smile

C1C=CC=CC2=C(C3=CC=CC=C3C(=C21)C4=CC=CC5=CC=CC=C54)C6=CC7=C(C=C6)C8=CC=CC=C8C9=NC1=CC=CC=C1N79

DOS

IR

Vibrations