Geometry & MOs

Info

ID:	295971
PubChem CID:	117548742
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	4.25
IP(EA), eV:	-9.57(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyridin-3-yloxetan-3-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC1(COC1)C2=CC=CO2

DOS

IR

Vibrations