Geometry & MOs

Info

ID:

12532

PubChem CID:

139681

Reduced:

ON2C4H7 (1)

Stoich.:

AB2C4D7 (1)

Weight, g/mol:

99.055838

ΔHf, kcal/mol:

5.34

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785447

Charge, e:

 1

Chem-info

IUPAC name:

3-hydroxybut-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CC(=C(C)O)[N+]#N

DOS

IR

Vibrations