Geometry & MOs

Info

ID:

413673

PubChem CID:

135086622

Reduced:

FN4H10C12 (1)

Stoich.:

AB4C10D12 (1)

Weight, g/mol:

284.050148

ΔHf, kcal/mol:

83.45

Dipole, Da:

1.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.112829

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1-trichlorododec-11-en-2-one

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=C(C=CC(=C2)F)N=[N+]=[N-]

DOS

IR

Vibrations