Geometry & MOs

Info

ID:	71328
PubChem CID:	48414629
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	4.29
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(6-methoxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=COC=C2

DOS

IR

Vibrations