Geometry & MOs

Info

ID:	208600
PubChem CID:	80550905
Reduced:	FOCl2N2H9C15 (1)
Stoich.:	ABC2D2E9F15 (1)
Weight, g/mol:	291.211076
ΔH_f, kcal/mol:	-9.64
Dipole, Da:	3.72
IP(EA), eV:	-8.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(2-fluorophenyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC(=C(C(=N3)Cl)F)Cl

DOS

IR

Vibrations