Geometry & MOs

Info

ID:	411306
PubChem CID:	135084119
Reduced:	SiN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	207.919411
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762965
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1,4-tetrachloro-2-methylbut-2-ene

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1(CCCC1)O/C(=C\[N+]#N)/O

DOS

IR

Vibrations