Geometry & MOs

Info

ID:	307676
PubChem CID:	125308012
Reduced:	NO2F3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	229.035063
ΔH_f, kcal/mol:	-175.93
Dipole, Da:	1.39
IP(EA), eV:	-10.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-(trifluoromethoxy)-3H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)N=C[C@H]2C=O

DOS

IR

Vibrations