Geometry & MOs

Info

ID:	392345
PubChem CID:	135014615
Reduced:	FOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	201.99933
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.33
IP(EA), eV:	-9.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-4-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@]12C=CC(=CC=C1C(CC2=O)(C)C)F

DOS

IR

Vibrations