Geometry & MOs

Info

ID:

407728

PubChem CID:

135080483

Reduced:

N3H8C9 (1)

Stoich.:

A3B8C9 (1)

Weight, g/mol:

216.136159

ΔHf, kcal/mol:

113.59

Dipole, Da:

3.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.119952

Charge, e:

 0

Chem-info

IUPAC name:

[(E,6S,7R)-6,7-dihydroxynon-2-enyl] acetate

Drug info:

PubChemData

Smile

C1C([CH]C2=CC=CC=C21)N=[N+]=[N-]

DOS

IR

Vibrations