Geometry & MOs

Info

ID:

59268

PubChem CID:

24775860

Reduced:

NO4H31C35 (1)

Stoich.:

AB4C31D35 (1)

Weight, g/mol:

582.14057

ΔHf, kcal/mol:

-46.87

Dipole, Da:

5.44

IP(EA), eV:

 -9.06(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[(4-bromophenyl)methyl]-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)C#N

DOS

IR

Vibrations