Geometry & MOs

Info

ID:	259194
PubChem CID:	103158566
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-204.92
Dipole, Da:	2.46
IP(EA), eV:	-9.42(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-cyclopentyl-2-hydroxypropoxy)phenyl]butan-2-one

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations