Geometry & MOs

Info

ID:	323352
PubChem CID:	126674467
Reduced:	OSF3N6H23C24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	385.205322
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	3.97
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(1R)-1-amino-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenoxy]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2CC3CCC(C2)C3NC4=NN5C=CC=C(C5=N4)C6=CC=CC=C6OC(F)(F)F

DOS

IR

Vibrations