Geometry & MOs

Info

ID:

59270

PubChem CID:

24775862

Reduced:

ClO4H31C34 (1)

Stoich.:

AB4C31D34 (1)

Weight, g/mol:

504.23006

ΔHf, kcal/mol:

-91.15

Dipole, Da:

1.99

IP(EA), eV:

 -8.81(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-benzyl-6-(methoxymethoxy)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)OCOC)(C5=CC=CC=C35)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations