Geometry & MOs

Info

ID:	262802
PubChem CID:	103318506
Reduced:	FN2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	268.112425
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	1.87
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene

Drug info:

PubChemData

Smile

C1CN=C2C3=C(NN2C1C(F)F)N=CC=C3

DOS

IR

Vibrations