Geometry & MOs

Info

ID:

384797

PubChem CID:

134977685

Reduced:

H23C34 (1)

Stoich.:

A23B34 (1)

Weight, g/mol:

1004.282183

ΔHf, kcal/mol:

302.14

Dipole, Da:

1.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.646456

Charge, e:

 0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[10-[2-chloro-3-[10-(3,5-ditert-butyl-4-hydroxyphenyl)anthracen-9-yl]cyclopropyl]anthracen-9-yl]phenol;tetrachloroalumanuide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C([C+]2C#CC#CC3C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations