Geometry & MOs

Info

ID:

380867

PubChem CID:

134971444

Reduced:

FeNO3C17H22 (1)

Stoich.:

ABC3D17E22 (1)

Weight, g/mol:

343.087079

ΔHf, kcal/mol:

21.67

Dipole, Da:

3.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.790186

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12CC[C@H](N1[C@](CC2)(C3=CC=CC=C3)O)[CH2].[Fe]

DOS

IR

Vibrations