Geometry & MOs

Info

ID:	6531
PubChem CID:	68818
Reduced:	SN3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	67.86
Dipole, Da:	5.61
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole

Drug info:

PubChemData

Smile

C1CN=C(N1)SC2=CNC3=CC=CC=C32

DOS

IR

Vibrations