Geometry & MOs

Info

ID:	149389
PubChem CID:	53789061
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	4.19
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=CC(=C1)C2=CC=CS2

DOS

IR

Vibrations