Geometry & MOs

Info

ID:	71377
PubChem CID:	48414733
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	324.104084
ΔH_f, kcal/mol:	4.11
Dipole, Da:	2.65
IP(EA), eV:	-8.93(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-chloro-4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1(CC1(Cl)Cl)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations