Geometry & MOs

Info

ID:	20694
PubChem CID:	585237
Reduced:	BrO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	342.11944
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	0.44
IP(EA), eV:	-10.3(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantylmethyl 6-bromohexanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)COC(=O)CCCCCBr

DOS

IR

Vibrations