Geometry & MOs

Info

ID:	296012
PubChem CID:	117550240
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	252.116173
ΔH_f, kcal/mol:	-111.26
Dipole, Da:	4.35
IP(EA), eV:	-8.92(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-fluorophenyl)oxetan-3-yl]butanoate

Drug info:

PubChemData

Smile

CCC(CO)C1(COC1)C2=CC(=CC=C2)OCC

DOS

IR

Vibrations