Geometry & MOs

Info

ID:	341455
PubChem CID:	127264148
Reduced:	ON2F3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	298.054082
ΔH_f, kcal/mol:	-164.99
Dipole, Da:	6.72
IP(EA), eV:	-8.63(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CN2)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations