Geometry & MOs

Info

ID:	295929
PubChem CID:	117547642
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	3.64
IP(EA), eV:	-9.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[3-(2-methylpropyl)oxetan-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2(COC2)CC(C)C(=O)O

DOS

IR

Vibrations