Geometry & MOs

Info

ID:

410298

PubChem CID:

135083089

Reduced:

FeN8F16C32 (1)

Stoich.:

AB8C16D32 (1)

Weight, g/mol:

250.21041

ΔHf, kcal/mol:

-288.63

Dipole, Da:

4.49

IP(EA), eV:

 -8.94(-2.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethoxy-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]borane

Drug info:

PubChemData

Smile

C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8F)F)F)F)C(=N7)N=C2[N-]3)C(=C(C(=C6F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Fe+2]

DOS

IR

Vibrations