Geometry & MOs

Info

ID:	390071
PubChem CID:	134996930
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	320.188863
ΔH_f, kcal/mol:	29.84
Dipole, Da:	2.81
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(cyclobutylmethyl)-8-oxo-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC23CN(C(C2C1)C(=O)C4=C3C=C(C=C4)C#N)CC5CC5

DOS

IR

Vibrations