Geometry & MOs

Info

ID:

412602

PubChem CID:

135085499

Reduced:

N2Zn2O3C45H52 (1)

Stoich.:

A2B2C3D45E52 (1)

Weight, g/mol:

610.347671

ΔHf, kcal/mol:

51.82

Dipole, Da:

12.07

IP(EA), eV:

 -6.54(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[CH2-].CC1=CC(=C(C(=C1)CN2CCCC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)CN5CCCC5C(C6=CC=CC=C6)(C7=CC=CC=C7)[OH2+].[Zn].[Zn+2]

DOS

IR

Vibrations