Geometry & MOs

Info

ID:	125688
PubChem CID:	50933721
Reduced:	CuN5C6H21 (1)
Stoich.:	AB5C6D21 (1)
Weight, g/mol:	649.327785
ΔH_f, kcal/mol:	81.16
Dipole, Da:	4.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755368
Charge, e:	2

Chem-info

IUPAC name:

copper;4-tert-butyl-2-[[16-[(5-tert-butyl-2-hydroxyphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]phenol

Drug info:

PubChemData

Smile

C(CNCCNCCN)N.N.[Cu+2]

DOS

IR

Vibrations