Geometry & MOs

Info

ID:

386891

PubChem CID:

134983277

Reduced:

NH12C14 (2)

Stoich.:

AB12C14 (2)

Weight, g/mol:

784.543061

ΔHf, kcal/mol:

131.15

Dipole, Da:

5.22

IP(EA), eV:

 -7.79(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(25Z)-7,19-ditert-butyl-27,28,29,30-tetrakis(2-ethoxyethyl)hexacyclo[11.11.2.13,23.15,9.111,15.117,21]triaconta-1(24),2,5,7,9(30),11,13,15(29),17(28),18,20,23(27),25-tridecaene

Drug info:

PubChemData

Smile

C1CN2C=C(/C=C\C3=CN(CCC4=CC=CC1=C4)C5=CC=CC=C35)C6=CC=CC=C62

DOS

IR

Vibrations