Geometry & MOs

Info

ID:	29208
PubChem CID:	832319
Reduced:	FSN2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	23.85
Dipole, Da:	6.11
IP(EA), eV:	-8.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpropoxy)phenyl]-pyrrolidin-1-ylmethanethione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=S)C2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

DOS

IR

Vibrations