Geometry & MOs

Info

ID:	295950
PubChem CID:	117548506
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	1.93
IP(EA), eV:	-10.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-chlorophenyl)oxetan-3-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CCC1(COC1)C2=CC=NC=C2

DOS

IR

Vibrations