Geometry & MOs

Info

ID:	296373
PubChem CID:	117570646
Reduced:	FN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	6.44
IP(EA), eV:	-8.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(1-methylpiperazin-2-yl)ethylamino]phenyl]ethanone

Drug info:

PubChemData

Smile

CN1CCNCC1CCNC2=CC=C(C=C2)F

DOS

IR

Vibrations