Geometry & MOs

Info

ID:	209233
PubChem CID:	80641326
Reduced:	BrClNSH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	41.84
Dipole, Da:	4.52
IP(EA), eV:	-9.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxan-4-yloxy)-1H-indole

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)C(C2=C(C=CS2)Cl)Br

DOS

IR

Vibrations