Geometry & MOs

Info

ID:	429642
PubChem CID:	135169691
Reduced:	OF3N10H15C22 (1)
Stoich.:	AB3C10D15E22 (1)
Weight, g/mol:	176.106196
ΔH_f, kcal/mol:	36.68
Dipole, Da:	9.11
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z,6Z,8Z,10E)-8,10-dimethyl-1,2,5,6-tetrazacycloundeca-2,4,6,8,10-pentaene

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CN=C(C5=CC=CC=C54)N)C(F)(F)F)C#N

DOS

IR

Vibrations