Geometry & MOs

Info

ID:	190249
PubChem CID:	77977155
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	283.139471
ΔH_f, kcal/mol:	10.58
Dipole, Da:	5.49
IP(EA), eV:	-10.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylpyrrolidin-2-yl)-4-methylbenzenethiol

Drug info:

PubChemData

Smile

C1CNC(=O)C(C1CC2=CC=NC=C2)C#N

DOS

IR

Vibrations