Geometry & MOs

Info

ID:	285087
PubChem CID:	104097220
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	288.072177
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	4.73
IP(EA), eV:	-9.05(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-1-[2-(2,2,2-trifluoroethoxy)ethyl]indole

Drug info:

PubChemData

Smile

CCOC1CC(C1(C)C)NC2=NC(=CN=C2)C(=O)OC

DOS

IR

Vibrations