Geometry & MOs

Info

ID:

59269

PubChem CID:

24775861

Reduced:

BrO4H31C34 (1)

Stoich.:

AB4C31D34 (1)

Weight, g/mol:

538.191087

ΔHf, kcal/mol:

-77.72

Dipole, Da:

3.57

IP(EA), eV:

 -8.73(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[(4-chlorophenyl)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)Br

DOS

IR

Vibrations