Geometry & MOs

Info

ID:

44837

PubChem CID:

10506108

Reduced:

OH15C19 (2)

Stoich.:

AB15C19 (2)

Weight, g/mol:

518.247047

ΔHf, kcal/mol:

83.82

Dipole, Da:

1.75

IP(EA), eV:

 -8.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,29-ditert-butyl-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/COC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C45)OC/C=C/C6=CC=CC=C6

DOS

IR

Vibrations