Geometry & MOs

Info

ID:

383433

PubChem CID:

134975160

Reduced:

BrNiN5C14H19 (1)

Stoich.:

ABC5D14E19 (1)

Weight, g/mol:

309.212406

ΔHf, kcal/mol:

145.73

Dipole, Da:

1.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.042283

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-2-oxo-1-(4-trimethylsilylbut-2-enyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

[CH3-].CN1[CH-]N(C=C1)C2=[NH+]C(=CC=C2)N3[CH-]N(C=C3)C.[Ni]Br

DOS

IR

Vibrations