Geometry & MOs

Info

ID:

383551

PubChem CID:

134975338

Reduced:

ON6H11C14 (1)

Stoich.:

AB6C11D14 (1)

Weight, g/mol:

280.107259

ΔHf, kcal/mol:

151.98

Dipole, Da:

3.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.791990

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(CCC(C(C#N)C#N)C(=C=[N-])C#N)(C(C#N)C#N)O

DOS

IR

Vibrations