Geometry & MOs

Info

ID:

397189

PubChem CID:

135029861

Reduced:

H24C25 (2)

Stoich.:

A24B25 (2)

Weight, g/mol:

412.203845

ΔHf, kcal/mol:

102.77

Dipole, Da:

0.24

IP(EA), eV:

 -8.58(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-oxo-2-(5-tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaenyl)acetate

Drug info:

PubChemData

Smile

C1CC2=CC=C(CCC3=C(C=C(CCC4=CC=C1C=C4)C=C3)/C=C\C5=C6CCC7=CC=C(CCC8=CC=C(CCC(=C5)C=C6)C=C8)C=C7)C=C2

DOS

IR

Vibrations