Geometry & MOs

Info

ID:

59374

PubChem CID:

24844232

Reduced:

NaN2O2C20H22 (1)

Stoich.:

AB2C2D20E22 (1)

Weight, g/mol:

315.110947

ΔHf, kcal/mol:

-41.72

Dipole, Da:

10.65

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.843657

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[Na]

DOS

IR

Vibrations