Geometry & MOs

Info

ID:	341458
PubChem CID:	127264151
Reduced:	BrN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	232.062361
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	6.4
IP(EA), eV:	-9.17(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(6-fluoro-1H-indol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=CN2)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations