Geometry & MOs

Info

ID:

409532

PubChem CID:

135082314

Reduced:

H9C23 (2)

Stoich.:

A9B23 (2)

Weight, g/mol:

496.125201

ΔHf, kcal/mol:

165.62

Dipole, Da:

0.16

IP(EA), eV:

 -7.48(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexadecacyclo[27.10.1.02,28.05,27.06,25.09,24.010,22.013,21.014,19.017,37.018,35.020,33.023,32.026,31.030,34.036,40]tetraconta-1,3,5,7,9,11,13(21),18(35),19,22,24,26(31),27,29(40),30(34),32,38-heptadecaene

Drug info:

PubChemData

Smile

C1=CC2=CC3=C4C5=C(C=C3)C=CC6=C5C7=C8C4=C2C(=C1)C9=C8C1=C(C=C9)C2=CC=CC3=CC4=C5C8=C(C=C4)C=CC6=C8C7=C1C5=C32

DOS

IR

Vibrations