Geometry & MOs

Info

ID:	299879
PubChem CID:	117822966
Reduced:	O2F3N5H10C19 (1)
Stoich.:	A2B3C5D10E19 (1)
Weight, g/mol:	146.048013
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	4.4
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxa-8,11-diazatricyclo[6.3.0.02,4]undeca-1,4,6,10-tetraene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NC3=C2C=CC4=C3C=CC(=C4)C(=O)N=[N+]=[N-])OC(F)(F)F

DOS

IR

Vibrations