Geometry & MOs

Info

ID:	146804
PubChem CID:	53753087
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	864.714818
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	5.78
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,6-tris(2,3-dimethylbutan-2-yl)-7-[5-methyl-2-[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl]oxyphenyl]naphthalene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC2CO2)C#N

DOS

IR

Vibrations