Geometry & MOs

Info

ID:	263551
PubChem CID:	103377816
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	-182.68
Dipole, Da:	7.26
IP(EA), eV:	-9.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-2-(3-hydroxybutan-2-yloxy)propanoic acid

Drug info:

PubChemData

Smile

CC(C(C)OC1(CCC(CC1)C2=CC=CC=C2)C(=O)O)O

DOS

IR

Vibrations