Geometry & MOs

Info

ID:

410234

PubChem CID:

135083025

Reduced:

AlClC12H14 (1)

Stoich.:

ABC12D14 (1)

Weight, g/mol:

756.35882

ΔHf, kcal/mol:

-50.12

Dipole, Da:

2.16

IP(EA), eV:

-9.01(0.5)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

(6Z)-2,4-ditert-butyl-6-[[[(1R,2R)-2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;ethyl sulfate;oxovanadium;hydrate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]3[C@H]1C[Al](C3)Cl

DOS

IR

Vibrations