Geometry & MOs

Info

ID:	263881
PubChem CID:	103404244
Reduced:	FO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	307.043378
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	1.86
IP(EA), eV:	-9.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

COCCOCCCOCC1=C(C=C(C=C1)F)C#CCO

DOS

IR

Vibrations