Geometry & MOs

Info

ID:	206255
PubChem CID:	80223402
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	195.045092
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	5.25
IP(EA), eV:	-9.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)pent-4-yn-1-ol

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CC(C2=NC=C(C=C2)Cl)O

DOS

IR

Vibrations