Geometry & MOs

Info

ID:	395359
PubChem CID:	135025267
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	230.03063
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	0.7
IP(EA), eV:	-9.78(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromocyclohexen-1-yl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)COC1C[C@@H]2CCCC[C@@H]2O1

DOS

IR

Vibrations