Geometry & MOs

Info

ID:	388447
PubChem CID:	134989198
Reduced:	N5Cl6C8H9 (1)
Stoich.:	A5B6C8D9 (1)
Weight, g/mol:	220.063663
ΔH_f, kcal/mol:	25.52
Dipole, Da:	6.9
IP(EA), eV:	-9.82(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxatetracyclo[7.2.2.02,4.02,8]trideca-5,7,10,12-tetraene-10,11-dicarbonitrile

Drug info:

PubChemData

Smile

CN(C)CNC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

DOS

IR

Vibrations