Geometry & MOs

Info

ID:	189070
PubChem CID:	77812075
Reduced:	CuNO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	539.126473
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	0.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;but-2-enedihydrazide;[[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]amino]methylphosphonic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)OC(=O)C2=CN=CC=C2.[Cu]

DOS

IR

Vibrations