Geometry & MOs

Info

ID:	293579
PubChem CID:	117393869
Reduced:	SO5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	256.118733
ΔH_f, kcal/mol:	-154.25
Dipole, Da:	6.44
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(trifluoromethyl)-1H-indol-4-yl]butan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC2=C1OCO2)C3(CC3)O

DOS

IR

Vibrations