Geometry & MOs

Info

ID:

185632

PubChem CID:

77323004

Reduced:

N3O4H26C28 (1)

Stoich.:

A3B4C26D28 (1)

Weight, g/mol:

245.157296

ΔHf, kcal/mol:

22.32

Dipole, Da:

5.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.865181

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC1=NC(=N[N+]1(C)C2=CC=C(C=C2)C3=CC=CC=C3C=C4C(=CC(=O)O4)O)C5=CC=CO5

DOS

IR

Vibrations