Geometry & MOs

Info

ID:	288851
PubChem CID:	104326934
Reduced:	FSN2O3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	266.179442
ΔH_f, kcal/mol:	-107.54
Dipole, Da:	5.62
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-3-fluorophenyl)-3-ethyl-3-methylpiperazine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=C(N=CS2)C(=O)O)F

DOS

IR

Vibrations