Geometry & MOs

Info

ID:	341456
PubChem CID:	127264149
Reduced:	ON2F6H8C11 (1)
Stoich.:	AB2C6D8E11 (1)
Weight, g/mol:	282.059167
ΔH_f, kcal/mol:	-326.74
Dipole, Da:	7.21
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)C(=CN2)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations