Geometry & MOs

Info

ID:

225135

PubChem CID:

85741927

Reduced:

CN9 (1)

Stoich.:

AB9 (1)

Weight, g/mol:

226.110613

ΔHf, kcal/mol:

238.08

Dipole, Da:

0.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.925032

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(furan-2-yl)but-3-enyl]-2-prop-1-enylpropanedinitrile

Drug info:

PubChemData

Smile

C(=N[N+]#N)(N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations