Geometry & MOs

Info

ID:

407069

PubChem CID:

135079233

Reduced:

NSeC9H10 (1)

Stoich.:

ABC9D10 (1)

Weight, g/mol:

420.178418

ΔHf, kcal/mol:

51.2

Dipole, Da:

4.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.061127

Charge, e:

 0

Chem-info

IUPAC name:

tetramethyl (E)-tetradec-7-en-2,12-diyne-4,4,9,9-tetracarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=N)[Se]

DOS

IR

Vibrations