Geometry & MOs

Info

ID:

59170

PubChem CID:

24775677

Reduced:

NO2C25H31 (1)

Stoich.:

AB2C25D31 (1)

Weight, g/mol:

549.215138

ΔHf, kcal/mol:

-51.74

Dipole, Da:

3.41

IP(EA), eV:

 -8.42(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-(methoxymethoxy)-8-[(4-nitrophenyl)methyl]-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

COC1=CC=C(C=C1)[C@H]2CC[C@@H]3CC[C@H]4C3N2[C@@H](CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations