Geometry & MOs

Info

ID:	314713
PubChem CID:	126622805
Reduced:	CuNOC4H5 (1)
Stoich.:	ABCD4E5 (1)
Weight, g/mol:	884.695264
ΔH_f, kcal/mol:	206.39
Dipole, Da:	1.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.803598
Charge, e:	0

Chem-info

IUPAC name:

1-O-(3,3-dihexadecoxypropyl) 4-O-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl] butanedioate

Drug info:

PubChemData

Smile

C1=CNC=C1.[O-2].[Cu+2]

DOS

IR

Vibrations