Geometry & MOs

Info

ID:	71722
PubChem CID:	48415260
Reduced:	F2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-148.31
Dipole, Da:	4.28
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethyl]azocan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OC(F)F

DOS

IR

Vibrations