Geometry & MOs

Info

ID:	315642
PubChem CID:	126628306
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	830.475769
ΔH_f, kcal/mol:	-292.26
Dipole, Da:	0.35
IP(EA), eV:	-10.61(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[4-[1-(4-tert-butylphenyl)propyl]-5-hydroxy-2-methylphenoxy]acetyl]oxy-1-adamantyl] 2-[4-[1-(4-tert-butylphenyl)ethyl]-5-hydroxy-2-methylphenoxy]acetate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)OC(=O)CO)OC(=O)CO

DOS

IR

Vibrations