Geometry & MOs

Info

ID:	336804
PubChem CID:	127255811
Reduced:	FSO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	-96.18
Dipole, Da:	3.21
IP(EA), eV:	-8.39(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-tert-butylpyrrol-2-yl)piperidine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)S)F)OC

DOS

IR

Vibrations