Geometry & MOs

Info

ID:	287642
PubChem CID:	104249766
Reduced:	Cl2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	5.0
IP(EA), eV:	-9.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-yl)-3-pyridin-4-ylpropan-2-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations