Geometry & MOs

Info

ID:	225482
PubChem CID:	85852500
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	398.068239
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.72
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,2,2-pentachlorohexadecane

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C)C1=CC=CC=C1)[N+]#[C-]

DOS

IR

Vibrations