Geometry & MOs

Info

ID:	430330
PubChem CID:	135170394
Reduced:	BrFNOC8H9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	262.15037
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	2.48
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-4-(1-phenylsulfanylazetidin-2-yl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=CN(C(C(=C1)F)Br)C2CO2

DOS

IR

Vibrations