Geometry & MOs

Info

ID:	403674
PubChem CID:	135061261
Reduced:	FSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	241.126678
ΔH_f, kcal/mol:	-116.79
Dipole, Da:	1.74
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1C[C@]1(F)SC2=CC=CC=C2

DOS

IR

Vibrations