Geometry & MOs

Info

ID:	186650
PubChem CID:	77461627
Reduced:	ON4F5H15C21 (1)
Stoich.:	AB4C5D15E21 (1)
Weight, g/mol:	220.074896
ΔH_f, kcal/mol:	-166.19
Dipole, Da:	5.46
IP(EA), eV:	-10.16(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9,11,12-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),3,5,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C[C@H]1[C@](NC(=N1)C2=CC(C(=O)N=C2)C(F)(F)F)(C3=CC=C(C=C3)F)C4=CN=C(C=C4)F

DOS

IR

Vibrations