Geometry & MOs

Info

ID:	3066
PubChem CID:	9107
Reduced:	NH6C11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	304.100048
ΔH_f, kcal/mol:	126.04
Dipole, Da:	3.58
IP(EA), eV:	-8.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21,22-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(22),2,4,6,8,10,12,14,16,18,20,23-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC4=CC5=CC=CC=C5C6=NN=C2C3=C46

DOS

IR

Vibrations