Geometry & MOs

Info

ID:	295946
PubChem CID:	117548307
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(1,3-benzodioxol-5-yl)oxetan-3-yl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(COC2)CC#N)OC

DOS

IR

Vibrations