Geometry & MOs

Info

ID:	310689
PubChem CID:	126584311
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	317.088578
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	12.69
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(6-fluoro-1H-indol-3-yl)-2-methylsulfinylphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=CC(=C2N1)OC)[N+](=O)[O-])CCC(=O)O

DOS

IR

Vibrations