Geometry & MOs

Info

ID:	394690
PubChem CID:	135023539
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	546.066419
ΔH_f, kcal/mol:	9.66
Dipole, Da:	1.87
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,9R)-3,4-bis(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N2C=C3C=CC=CC3=N2)OC

DOS

IR

Vibrations