Geometry & MOs

Info

ID:

148698

PubChem CID:

53788367

Reduced:

N3O3C10H16 (1)

Stoich.:

A3B3C10D16 (1)

Weight, g/mol:

140.156501

ΔHf, kcal/mol:

-52.17

Dipole, Da:

3.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.693532

Charge, e:

 0

Chem-info

IUPAC name:

5-methylnon-3-ene

Drug info:

PubChemData

Smile

CCCC(=O)OCN1C=C[N+](=C1CN=O)C

DOS

IR

Vibrations