Geometry & MOs

Info

ID:	23105
PubChem CID:	601907
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	4.37
IP(EA), eV:	-9.89(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C12CC3CC(C1)CC(C3)C2=O

DOS

IR

Vibrations