Geometry & MOs

Info

ID:	294199
PubChem CID:	117434582
Reduced:	ClO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	272.109169
ΔH_f, kcal/mol:	-163.92
Dipole, Da:	3.93
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-fluoro-3-methyl-2-(2-piperazin-1-ylethyl)phenol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1CCC(=O)O)OC)OC)Cl

DOS

IR

Vibrations