Geometry & MOs

Info

ID:	385874
PubChem CID:	134980195
Reduced:	OSC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	308.07758
ΔH_f, kcal/mol:	-24.34
Dipole, Da:	3.54
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(4-bromophenyl)-3-pentylcyclopentan-1-one

Drug info:

PubChemData

Smile

C/C(=C\CO)/CCSC1=CC=CC=C1

DOS

IR

Vibrations