Geometry & MOs

Info

ID:	51464
PubChem CID:	12014134
Reduced:	BrO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	260.04119
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	3.19
IP(EA), eV:	-9.61(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-1-[(1S)-2-bromo-1-hydroxyethyl]-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