Geometry & MOs

Info

ID:	395216
PubChem CID:	135024942
Reduced:	NSiO9C57H64 (1)
Stoich.:	ABC9D57E64 (1)
Weight, g/mol:	263.068455
ΔH_f, kcal/mol:	-272.92
Dipole, Da:	8.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816608
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[N+](C)(CCC[Si](OC)(OC)OC)CC1=CC(=CC(=C1)OCC2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC(=CC(=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations