Geometry & MOs

Info

ID:	55202
PubChem CID:	17389890
Reduced:	NO2F3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	229.035063
ΔH_f, kcal/mol:	-214.95
Dipole, Da:	3.58
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations