Geometry & MOs

Info

ID:	409500
PubChem CID:	135082282
Reduced:	N3H9C14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	168.068748
ΔH_f, kcal/mol:	93.44
Dipole, Da:	1.8
IP(EA), eV:	-8.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CN=C4N3C2=NC=C4

DOS

IR

Vibrations