Geometry & MOs

Info

ID:	293889
PubChem CID:	117410125
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	5.96
IP(EA), eV:	-9.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-[4-(oxetan-3-yloxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(COC2)C=C1)C(CC(=O)O)C3CC3

DOS

IR

Vibrations