Geometry & MOs

Info

ID:	393723
PubChem CID:	135021563
Reduced:	BSiC16H28 (1)
Stoich.:	ABC16D28 (1)
Weight, g/mol:	604.236208
ΔH_f, kcal/mol:	27.74
Dipole, Da:	1.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751051
Charge, e:	0

Chem-info

IUPAC name:

1,1,7,7-tetramethyl-3,5-bis(4-nitrophenyl)-2,6-diphenyl-s-indacene

Drug info:

PubChemData

Smile

[B](CC#C[Si](C)(C)C)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C

DOS

IR

Vibrations