Geometry & MOs

Info

ID:	11740
PubChem CID:	120150
Reduced:	N2O2C17H17 (2)
Stoich.:	A2B2C17D17 (2)
Weight, g/mol:	562.258006
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	11.86
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-3,9'-xanthene]-1-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3C6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations