Geometry & MOs

Info

ID:

49004

PubChem CID:

11528604

Reduced:

PO4C9H11 (1)

Stoich.:

AB4C9D11 (1)

Weight, g/mol:

214.054241

ΔHf, kcal/mol:

-186.6

Dipole, Da:

4.95

IP(EA), eV:

-9.03(-0.52)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(6-fluoro-2,3-dihydrochromen-4-ylidene)propanedinitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/P(=O)(O)O

DOS

IR

Vibrations