Geometry & MOs

Info

ID:	217006
PubChem CID:	85087110
Reduced:	F3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	326.112738
ΔH_f, kcal/mol:	-219.32
Dipole, Da:	4.58
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-8-imidazol-1-yl-7-nitro-3a,9a-dihydro-3H-imidazo[1,2-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CCC3(C(=O)CCC3=O)C(F)(F)F)C2

DOS

IR

Vibrations