Geometry & MOs

Info

ID:	436979
PubChem CID:	135213456
Reduced:	N2O2F3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	538.294391
ΔH_f, kcal/mol:	-183.19
Dipole, Da:	3.78
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)N(C1=CC=C(C=C1)C(F)(F)F)C(=O)C2=C(ON=C2)C

DOS

IR

Vibrations