Geometry & MOs

Info

ID:	51462
PubChem CID:	12014132
Reduced:	OBr2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	274.05684
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	4.79
IP(EA), eV:	-10.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-[(1S)-1-bromo-2-methoxyethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1(C(=O)C2)[C@@H](CBr)Br)C

DOS

IR

Vibrations