Geometry & MOs

Info

ID:	48257
PubChem CID:	10538390
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	2.31
IP(EA), eV:	-9.12(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-ethyl-5-nitroindole

Drug info:

PubChemData

Smile

COC(=O)CCN1CCN=C1CC2=CC=CC=C2

DOS

IR

Vibrations