Geometry & MOs

Info

ID:

380865

PubChem CID:

134971442

Reduced:

FeNO3C17H22 (1)

Stoich.:

ABC3D17E22 (1)

Weight, g/mol:

288.159969

ΔHf, kcal/mol:

-102.0

Dipole, Da:

2.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.708022

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(CC[C@@]([N]1)(C2=CC=CC=C2)O)CCC=C.[Fe]

DOS

IR

Vibrations