Geometry & MOs

Info

ID:	402079
PubChem CID:	135054194
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	525.175746
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	9.08
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)[C@@]1([C@H](C(=CN1)[N+](=O)[O-])C2=CC(=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations