Geometry & MOs

Info

ID:

400987

PubChem CID:

135049628

Reduced:

ON2C6H9 (1)

Stoich.:

AB2C6D9 (1)

Weight, g/mol:

635.474875

ΔHf, kcal/mol:

21.14

Dipole, Da:

3.06

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.152270

Charge, e:

0

Chem-info

IUPAC name:

3-tert-butyl-1-(2,4,6-tritert-butylphenyl)-1-(2,4,6-tritert-butylphenyl)imino-1lambda5,2-diphosphirene

Drug info:

PubChemData

Smile

CC/C(=C/C=C\O)/[N+]#N

DOS

IR

Vibrations