Geometry & MOs

Info

ID:	52461
PubChem CID:	12015326
Reduced:	O2N3H15C19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	119.39
Dipole, Da:	15.0
IP(EA), eV:	-7.05(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,12-dimethoxy-5,11-diazatetracyclo[5.5.0.02,6.03,10]dodeca-4,8,11-triene-1,9-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=NC2(C3C=C(C4C1C2C3(C5=CC=CC=C45)C#N)C#N)OC

DOS

IR

Vibrations