Geometry & MOs

Info

ID:	296008
PubChem CID:	117549940
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	3.21
IP(EA), eV:	-9.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methylphenyl)oxetan-3-yl]oxetane-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2(COC2)C3=CN=CC=C3

DOS

IR

Vibrations