Geometry & MOs

Info

ID:

224693

PubChem CID:

85346925

Reduced:

CuO2N4C22H24 (1)

Stoich.:

AB2C4D22E24 (1)

Weight, g/mol:

438.146613

ΔHf, kcal/mol:

77.92

Dipole, Da:

5.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.812156

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C2O)N(N1C)C3=CC=CC=C3)NC(=CC(=O)C)C.[Cu]

DOS

IR

Vibrations