Geometry & MOs

Info

ID:	391427
PubChem CID:	135004975
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	1.52
IP(EA), eV:	-8.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-nitro-2-octyl-2H-chromene

Drug info:

PubChemData

Smile

CCCCCCC[C@H]([C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C)NC2=CC=CC=C2OC

DOS

IR

Vibrations