Geometry & MOs

Info

ID:	259198
PubChem CID:	103158579
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-162.62
Dipole, Da:	2.68
IP(EA), eV:	-8.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-cyclopentyl-2-hydroxypropoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations