Geometry & MOs

Info

ID:	308372
PubChem CID:	125326629
Reduced:	F3O3N4H13C16 (1)
Stoich.:	A3B3C4D13E16 (1)
Weight, g/mol:	304.084792
ΔH_f, kcal/mol:	-204.39
Dipole, Da:	7.9
IP(EA), eV:	-9.72(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(2H-indol-3-ylmethylidene)-3-oxido-2-phenyl-1,3-oxazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1C(=NC=N1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations