Geometry & MOs

Info

ID:

392275

PubChem CID:

135014089

Reduced:

IO2C11H18 (1)

Stoich.:

AB2C11D18 (1)

Weight, g/mol:

96.081324

ΔHf, kcal/mol:

-86.24

Dipole, Da:

3.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.811633

Charge, e:

 1

Chem-info

IUPAC name:

cyclohex-2-en-1-ylideneazanium

Drug info:

PubChemData

Smile

CC\1C(CCC2(C([I+]2)C/C=C1\O)C)O

DOS

IR

Vibrations