Geometry & MOs

Info

ID:	25118
PubChem CID:	619020
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	87.64
Dipole, Da:	2.57
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,10-diazatetracyclo[8.2.1.12,5.03,12]tetradecane-4,11,13,14-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N

DOS

IR

Vibrations