Geometry & MOs

Info

ID:

408548

PubChem CID:

135081314

Reduced:

NO3C8H8 (1)

Stoich.:

AB3C8D8 (1)

Weight, g/mol:

198.140851

ΔHf, kcal/mol:

-22.86

Dipole, Da:

4.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775714

Charge, e:

 0

Chem-info

IUPAC name:

hexaspiro[2.0.0.0.26.0.29.05.0.212.04.13]pentadecane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/N(O)O)/[O-]

DOS

IR

Vibrations