Geometry & MOs

Info

ID:

193412

PubChem CID:

78391576

Reduced:

TcO3N4C27H30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

598.18595

ΔHf, kcal/mol:

75.83

Dipole, Da:

11.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.101435

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-[2-[bis[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one;technetium

Drug info:

PubChemData

Smile

C1=CC(=CNCCN(CCNC=C2C=CC=CC2=O)CCNC=C3C=CC=CC3=O)C(=O)C=C1.[Tc]

DOS

IR

Vibrations