Geometry & MOs

Info

ID:	186864
PubChem CID:	77498988
Reduced:	N3C19H19 (1)
Stoich.:	A3B19C19 (1)
Weight, g/mol:	341.190341
ΔH_f, kcal/mol:	68.09
Dipole, Da:	2.83
IP(EA), eV:	-8.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-fluorophenyl)pyrazolidin-4-yl]-phenylmethyl]morpholine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC3=NC4=CC=CC=C4C=C3CN

DOS

IR

Vibrations