Geometry & MOs

Info

ID:	2250
PubChem CID:	6438
Reduced:	BrOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	230.03063
ΔH_f, kcal/mol:	-54.14
Dipole, Da:	4.21
IP(EA), eV:	-9.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2Br)C)C

DOS

IR

Vibrations