Geometry & MOs

Info

ID:	387475
PubChem CID:	134985513
Reduced:	NO6C7H13 (2)
Stoich.:	AB6C7D13 (2)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-406.92
Dipole, Da:	7.72
IP(EA), eV:	-9.35(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-methyl-2-nitroso-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N([N+](=O)[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC)CO)O)[O-])O

DOS

IR

Vibrations