Geometry & MOs

Info

ID:	187940
PubChem CID:	77645716
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	432.23254
ΔH_f, kcal/mol:	-215.2
Dipole, Da:	3.2
IP(EA), eV:	-9.64(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-fluoro-5-[3-(6-methylpyridin-2-yl)pyrazolidin-4-yl]phenyl]phenyl]methyl]morpholine

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CC=C4C3(CC(C(C4)(O)O)O)C

DOS

IR

Vibrations