Geometry & MOs

Info

ID:	259201
PubChem CID:	103158583
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	340.06741
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	3.47
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(3-cyclopentyl-2-hydroxypropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(CC2CCCC2)O)C(=O)C

DOS

IR

Vibrations