Geometry & MOs

Info

ID:	399299
PubChem CID:	135039499
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	271.083099
ΔH_f, kcal/mol:	0.46
Dipole, Da:	3.4
IP(EA), eV:	-9.25(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluorophenyl)sulfanylethyl]-1H-indole

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](N1C)C=O)C2=CC=CC=C2

DOS

IR

Vibrations