Geometry & MOs

Info

ID:	400854
PubChem CID:	135049279
Reduced:	Si2O4N5C23H34 (1)
Stoich.:	A2B4C5D23E34 (1)
Weight, g/mol:	212.156501
ΔH_f, kcal/mol:	-196.78
Dipole, Da:	3.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776845
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-7-methyl-3-methylideneocta-1,6-dienyl]benzene

Drug info:

PubChemData

Smile

C[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)[N+]2=CNC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C

DOS

IR

Vibrations