Geometry & MOs

Info

ID:

144914

PubChem CID:

53431146

Reduced:

BN2C7H12 (1)

Stoich.:

AB2C7D12 (1)

Weight, g/mol:

272.198759

ΔHf, kcal/mol:

31.54

Dipole, Da:

4.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760422

Charge, e:

 0

Chem-info

IUPAC name:

5-decoxy-5-oxopentanoic acid

Drug info:

PubChemData

Smile

B1=NC2CCCCCC2=N1

DOS

IR

Vibrations