Geometry & MOs

Info

ID:

49552

PubChem CID:

11533231

Reduced:

O3F5N6C20H21 (1)

Stoich.:

A3B5C6D20E21 (1)

Weight, g/mol:

487.984711

ΔHf, kcal/mol:

-278.42

Dipole, Da:

10.26

IP(EA), eV:

 -8.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dichlorozirconium;(6Z)-4-methoxy-6-[[2-[[(Z)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C(=C(C1=O)F)NC2=C(C=C(C=C2)OC(F)(F)F)F)C3=NN=C(O3)NCCN(C)C

DOS

IR

Vibrations