Geometry & MOs

Info

ID:	50757
PubChem CID:	12013345
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	167.111028
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	5.85
IP(EA), eV:	-9.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-1-fluoropropan-2-amine

Drug info:

PubChemData

Smile

C[C@H]1COS(=O)(=O)N1CC2=CC=CC=C2

DOS

IR

Vibrations