Geometry & MOs

Info

ID:

388458

PubChem CID:

134989211

Reduced:

OC5H8 (2)

Stoich.:

AB5C8 (2)

Weight, g/mol:

579.060386

ΔHf, kcal/mol:

-82.91

Dipole, Da:

2.57

IP(EA), eV:

-9.41(0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

copper;2,5,11,14,20,23,29,35,37,39-decaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CC(=CCC(C=C)C(=O)OC)C

DOS

IR

Vibrations