Geometry & MOs

Info

ID:	207065
PubChem CID:	80341921
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	261.055656
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	2.5
IP(EA), eV:	-8.83(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3-chlorophenyl)methoxy]pyridin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=NC=C1)N2CCCCC2CO

DOS

IR

Vibrations