Geometry & MOs

Info

ID:	285017
PubChem CID:	104090863
Reduced:	OF3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	4.7
IP(EA), eV:	-10.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-4-ylhex-5-yn-1-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)C1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations