Geometry & MOs

Info

ID:	341379
PubChem CID:	127264072
Reduced:	BrN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	298.054082
ΔH_f, kcal/mol:	-119.27
Dipole, Da:	4.43
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-[6-(trifluoromethoxy)-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