Geometry & MOs

Info

ID:

322013

PubChem CID:

126668264

Reduced:

N4H40C61 (1)

Stoich.:

A4B40C61 (1)

Weight, g/mol:

946.277798

ΔHf, kcal/mol:

415.09

Dipole, Da:

3.07

IP(EA), eV:

 -7.67(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[4-[4-(4-methoxybenzoyl)oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-(4-methoxybenzoyl)oxyphenyl]benzoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(N2C4=CC=CC=C4C5=C(C=CC#CC5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C1=C(C=C3)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations