Geometry & MOs

Info

ID:	181588
PubChem CID:	76764218
Reduced:	ICl3O3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	281.080041
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	1.1
IP(EA), eV:	-10.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-nitro-6a,7-dihydro-5H-indolo[1,2-a]quinoxalin-6-one

Drug info:

PubChemData

Smile

CO[C@H](CC1(C(=O)C(=C(C1=O)Cl)Cl)Cl)CI

DOS

IR

Vibrations