Geometry & MOs

Info

ID:

382749

PubChem CID:

134974075

Reduced:

O2N3C11H20 (1)

Stoich.:

A2B3C11D20 (1)

Weight, g/mol:

289.167794

ΔHf, kcal/mol:

-68.36

Dipole, Da:

5.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774560

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCN1C=[N+](C=C1C[C@@H](C(=O)O)N)C

DOS

IR

Vibrations