Geometry & MOs

Info

ID:	45640
PubChem CID:	10515940
Reduced:	ClSC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	266.03063
ΔH_f, kcal/mol:	41.94
Dipole, Da:	3.96
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-bromophenyl)propyl]cyclobutan-1-one

Drug info:

PubChemData

Smile

CCCCCCC#CC(SC1=CC=CC=C1)Cl

DOS

IR

Vibrations