Geometry & MOs

Info

ID:

396519

PubChem CID:

135028616

Reduced:

CuO2C8H8 (1)

Stoich.:

AB2C8D8 (1)

Weight, g/mol:

268.157563

ΔHf, kcal/mol:

27.55

Dipole, Da:

1.85

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750000

Charge, e:

 0

Chem-info

IUPAC name:

13-methyl-1,5-diazatetracyclo[8.7.1.05,18.011,16]octadeca-10(18),11(16),12,14-tetraen-17-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)CO.[Cu]

DOS

IR

Vibrations