Geometry & MOs

Info

ID:	23819
PubChem CID:	606293
Reduced:	BrO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	272.04119
ΔH_f, kcal/mol:	-122.57
Dipole, Da:	2.52
IP(EA), eV:	-10.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations