Geometry & MOs

Info

ID:	20475
PubChem CID:	584187
Reduced:	ClOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	262.052735
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	3.73
IP(EA), eV:	-10.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3OC(=O)C(Cl)Cl

DOS

IR

Vibrations