Geometry & MOs

Info

ID:	391774
PubChem CID:	135009440
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	289.107834
ΔH_f, kcal/mol:	-31.38
Dipole, Da:	3.84
IP(EA), eV:	-9.8(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylphenyl)-6-(trifluoromethyl)-1H-indole

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C(C#N)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations