Geometry & MOs

Info

ID:	227527
PubChem CID:	87561924
Reduced:	N2Cl3F3O3H10C13 (1)
Stoich.:	A2B3C3D3E10F13 (1)
Weight, g/mol:	129.078979
ΔH_f, kcal/mol:	-201.33
Dipole, Da:	3.74
IP(EA), eV:	-10.44(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;(2E,4E)-hexa-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1CN(CC(C2=C1C=C(C=C2)[N+](=O)[O-])C(Cl)(Cl)Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations