Geometry & MOs

Info

ID:	52462
PubChem CID:	12015327
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	79.28
Dipole, Da:	1.12
IP(EA), eV:	-9.56(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,15-dimethoxy-14-azapentacyclo[7.6.1.02,12.03,8.013,16]hexadeca-3,5,7,10,14-pentaene-2,10-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=NC2C3C=C(C4C1C2C3(C(=N4)OC)C#N)C#N

DOS

IR

Vibrations