Geometry & MOs

Info

ID:	23358
PubChem CID:	603196
Reduced:	BrO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	334.05684
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	3.52
IP(EA), eV:	-9.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 2-bromobenzoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations