Geometry & MOs

Info

ID:

386940

PubChem CID:

134983443

Reduced:

NO6C16H18 (1)

Stoich.:

AB6C16D18 (1)

Weight, g/mol:

494.102789

ΔHf, kcal/mol:

-133.64

Dipole, Da:

7.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.892674

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]([CH]/C=C/C(=O)[C@@H](C)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)OC=O

DOS

IR

Vibrations