Geometry & MOs

Info

ID:	259197
PubChem CID:	103158578
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-187.49
Dipole, Da:	8.09
IP(EA), eV:	-10.18(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-cyclopentyl-2-hydroxypropoxy)-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NCC1CCC1

DOS

IR

Vibrations