Geometry & MOs

Info

ID:	205176
PubChem CID:	80064045
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	286.093998
ΔH_f, kcal/mol:	22.06
Dipole, Da:	2.44
IP(EA), eV:	-9.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-fluoro-6-(1H-indol-2-ylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CC2=NOC(=N2)CC3CNC3

DOS

IR

Vibrations