Geometry & MOs

Info

ID:	20685
PubChem CID:	585176
Reduced:	Cl2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	276.068385
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	3.11
IP(EA), eV:	-10.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantylmethyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)COC(=O)C(Cl)Cl

DOS

IR

Vibrations