Geometry & MOs

Info

ID:	384913
PubChem CID:	134977932
Reduced:	SSiCo2O9H30C31 (1)
Stoich.:	ABC2D9E30F31 (1)
Weight, g/mol:	338.203451
ΔH_f, kcal/mol:	-273.74
Dipole, Da:	24.51
IP(EA), eV:	-8.84(-6.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-pentyl-3-phenyl-2-(2-phenylethynyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@]12CC[C@H](C(C1=O)[C@H](C#C/C=C\C#C2)O)SC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations