Geometry & MOs

Info

ID:	246674
PubChem CID:	103064586
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	3.92
IP(EA), eV:	-8.73(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(thiolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N(C=C2)C3CCSC3)O

DOS

IR

Vibrations