Geometry & MOs

Info

ID:	341453
PubChem CID:	127264146
Reduced:	ClN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	6.53
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2,2-trifluoro-1-(5-methoxy-1H-indol-3-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=CN2)[C@@H](C(F)(F)F)N

DOS

IR

Vibrations