Geometry & MOs

Info

ID:	396775
PubChem CID:	135029182
Reduced:	SiO2C46H46 (1)
Stoich.:	AB2C46D46 (1)
Weight, g/mol:	990.422552
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	1.28
IP(EA), eV:	-8.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis(2-methyl-3,4,5,6-tetraphenylphenyl)pyrene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O[Si](C)(C)C)C(C)(C)C)C2(C3=C(C4=CC=CC=C4C5=CC=CC=C53)C6=C2C7=CC=CC=C7C8=CC=CC=C86)O

DOS

IR

Vibrations