Geometry & MOs

Info

ID:

386892

PubChem CID:

134983279

Reduced:

O2C27H36 (2)

Stoich.:

A2B27C36 (2)

Weight, g/mol:

700.44916

ΔHf, kcal/mol:

-173.61

Dipole, Da:

2.0

IP(EA), eV:

 -8.48(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(25Z)-27,28,29,30-tetrakis(2-ethoxyethyl)-7,19-dimethylhexacyclo[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

CCOCCC1=C2CC3=CC(=CC(=C3CCOCC)CC4=C(C5=CC(=C4)/C=C\C(=C2)C=C1CC6=CC(=CC(=C6CCOCC)C5)C(C)(C)C)CCOCC)C(C)(C)C

DOS

IR

Vibrations