Geometry & MOs

Info

ID:	52460
PubChem CID:	12015325
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	107.81
Dipole, Da:	3.09
IP(EA), eV:	-9.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14,16-dimethoxy-15-azapentacyclo[8.6.0.02,14.03,13.04,9]hexadeca-4,6,8,11,15-pentaene-3,11-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2C3C4C(C1C4(C5=CC=CC=C25)C#N)(N=C3OC)C)C#N

DOS

IR

Vibrations