Geometry & MOs

Info

ID:	279024
PubChem CID:	103840577
Reduced:	ClNOSC8H10 (1)
Stoich.:	ABCDE8F10 (1)
Weight, g/mol:	259.0008
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	1.46
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-fluorophenyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CNCC1(C2=C(C=CS2)Cl)O

DOS

IR

Vibrations