Geometry & MOs

Info

ID:	303727
PubChem CID:	124490105
Reduced:	BrO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	262.05684
ΔH_f, kcal/mol:	-127.73
Dipole, Da:	2.62
IP(EA), eV:	-10.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-bromo-2-[(1S,3S)-3-methylcyclohexyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H]1CCC[C@@H](C1)C)Br

DOS

IR

Vibrations