Geometry & MOs

Info

ID:	341332
PubChem CID:	127264025
Reduced:	BO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	248.03281
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	4.57
IP(EA), eV:	-9.47(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanamine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CCC3)O

DOS

IR

Vibrations