Geometry & MOs

Info

ID:	51463
PubChem CID:	12014133
Reduced:	BrO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	274.05684
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	4.12
IP(EA), eV:	-9.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-[(1R)-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](COC)Br)C

DOS

IR

Vibrations