Geometry & MOs

Info

ID:

314313

PubChem CID:

126621278

Reduced:

O4H40C43 (1)

Stoich.:

A4B40C43 (1)

Weight, g/mol:

1032.43899

ΔHf, kcal/mol:

-53.7

Dipole, Da:

2.89

IP(EA), eV:

 -8.71(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[4-[dimethoxy(naphthalen-2-yl)methyl]-3-methylnaphthalen-1-yl]-2-naphthalen-2-yl-1,3-dioxolan-2-yl]-3-methylnaphthalen-1-yl]-2-(2-methylnaphthalen-1-yl)-2-naphthalen-2-yl-1,3-dioxane

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3(OCCCC(O3)C4=CC(=C(C5=CC=CC=C54)C6(OCCCO6)C7=CC=CC=C7)C)C8=CC=CC=C8

DOS

IR

Vibrations