Geometry & MOs

Info

ID:	53420
PubChem CID:	14715875
Reduced:	Cl2H8C15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	492.281701
ΔH_f, kcal/mol:	192.88
Dipole, Da:	0.11
IP(EA), eV:	-8.51(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-[1,6,6-tris(2,4-dimethylphenyl)hexa-1,2,3,4,5-pentaenyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=C=C=C=C=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations