Geometry & MOs

Info

ID:	147990
PubChem CID:	53787652
Reduced:	O2F5H13C17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	346.196903
ΔH_f, kcal/mol:	-303.07
Dipole, Da:	9.3
IP(EA), eV:	-10.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)F)C(F)(F)F)F

DOS

IR

Vibrations