Geometry & MOs

Info

ID:

215036

PubChem CID:

85084035

Reduced:

PN2O6H39C40 (1)

Stoich.:

AB2C6D39E40 (1)

Weight, g/mol:

674.15405

ΔHf, kcal/mol:

-201.26

Dipole, Da:

2.4

IP(EA), eV:

 -9.07(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[2-[(diaminomethylideneamino)methyl]phenyl]boronic acid;N-(3-nitrosobut-2-en-2-yl)hydroxylamine;technetium;chloride

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1OC(=O)CCNC(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)NCP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

DOS

IR

Vibrations