Geometry & MOs

Info

ID:	409650
PubChem CID:	135082432
Reduced:	N2O2C19H23 (2)
Stoich.:	A2B2C19D23 (2)
Weight, g/mol:	143.048347
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	2.64
IP(EA), eV:	-7.63(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,10,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaene

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CC)CC)C(=C3C)CCC(=O)OC)CC

DOS

IR

Vibrations