Geometry & MOs

Info

ID:	22571
PubChem CID:	597749
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-210.56
Dipole, Da:	5.28
IP(EA), eV:	-9.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CC1CC2C(C1O)OC(O2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations