Geometry & MOs

Info

ID:	449807
PubChem CID:	135301696
Reduced:	ON3F4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-167.28
Dipole, Da:	4.42
IP(EA), eV:	-9.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethynylpyridin-2-yl)-4-(3-methoxypropyl)piperazine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C=O)F)/C(=C/N(C(F)F)N)/N

DOS

IR

Vibrations