Geometry & MOs

Info

ID:	219893
PubChem CID:	85165016
Reduced:	CuN5H35C37 (1)
Stoich.:	AB5C35D37 (1)
Weight, g/mol:	614.13277
ΔH_f, kcal/mol:	319.9
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.347028
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C6=C(C=CC7=C6C=CC=N7)C(=N5)C=C1[N-]2)CC)C)C(=C3CC)CC)C.[Cu+2]

DOS

IR

Vibrations