Geometry & MOs

Info

ID:	138622
PubChem CID:	52395560
Reduced:	FON3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	329.190341
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	4.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055023
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)C[NH+](C[C@H]2CCCO2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations