Geometry & MOs

Info

ID:

399373

PubChem CID:

135039961

Reduced:

ON3C8H8 (1)

Stoich.:

AB3C8D8 (1)

Weight, g/mol:

163.074562

ΔHf, kcal/mol:

95.26

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.893897

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-azido-2-cyclopenta-2,4-dien-1-ylpropanal

Drug info:

PubChemData

Smile

C[C@](C=O)(C1=C[CH-]C=C1)N=[N+]=[N-]

DOS

IR

Vibrations