Geometry & MOs

Info

ID:	50666
PubChem CID:	12013236
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	2.75
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-but-3-ynoxy-2-nitroethyl)-1-methoxyindole

Drug info:

PubChemData

Smile

CC(C)(C=C)OC(C[N+](=O)[O-])C1=CN(C2=CC=CC=C21)OC

DOS

IR

Vibrations