Geometry & MOs

Info

ID:	414136
PubChem CID:	135087091
Reduced:	O2C14H15 (2)
Stoich.:	A2B14C15 (2)
Weight, g/mol:	201.063958
ΔH_f, kcal/mol:	-36.97
Dipole, Da:	3.62
IP(EA), eV:	-9.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(trifluoromethyl)-3H-indol-1-ium-2-amine

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)CCC(=O)C#CC(C)(C)OCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations