Geometry & MOs

Info

ID:	399574
PubChem CID:	135040996
Reduced:	BrOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	3.03
IP(EA), eV:	-9.56(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-6-methylpyran-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)CCC2=CC=CC=C2Br

DOS

IR

Vibrations