Geometry & MOs

Info

ID:	396418
PubChem CID:	135028389
Reduced:	OSiC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	410.13068
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	1.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800312
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(2-phenylethynyl)anthracene-2,6-diol

Drug info:

PubChemData

Smile

C[Si](C)(C)C(=[CH])[C@H](C1CCCCC1)O

DOS

IR

Vibrations