Geometry & MOs

Info

ID:	138564
PubChem CID:	52385310
Reduced:	OC6H10 (4)
Stoich.:	AB6C10 (4)
Weight, g/mol:	176.071154
ΔH_f, kcal/mol:	-248.82
Dipole, Da:	2.21
IP(EA), eV:	-10.04(0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-hydroxyethyl)indol-1-ium-2-one

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C

DOS

IR

Vibrations