Geometry & MOs

Info

ID:	218800
PubChem CID:	85089990
Reduced:	CuISCl2N2C14H21 (1)
Stoich.:	ABCD2E2F14G21 (1)
Weight, g/mol:	510.298548
ΔH_f, kcal/mol:	84.52
Dipole, Da:	6.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.989533
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C=C(N2CCCCC2)SC.[Cl-].[Cl-].[Cu+2].[I-]

DOS

IR

Vibrations