Geometry & MOs

Info

ID:	10778
PubChem CID:	107889
Reduced:	NH7C9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	258.115698
ΔH_f, kcal/mol:	69.33
Dipole, Da:	2.5
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1,6,8,10,12,15,17,19-octaene

Drug info:

PubChemData

Smile

C1CC2=C3C4=CC=CC=C4NC3=C5C=CC=NC5=C2C1

DOS

IR

Vibrations