Geometry & MOs

Info

ID:	52458
PubChem CID:	12015323
Reduced:	ON3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	301.121512
ΔH_f, kcal/mol:	146.76
Dipole, Da:	6.61
IP(EA), eV:	-9.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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COC1=NC2C3C=C(C4C1C2C3(C5=CC=CC=C45)C#N)C#N

DOS

IR

Vibrations