Geometry & MOs

Info

ID:	408807
PubChem CID:	135081575
Reduced:	KNC8H8 (1)
Stoich.:	ABC8D8 (1)
Weight, g/mol:	220.088815
ΔH_f, kcal/mol:	48.58
Dipole, Da:	8.51
IP(EA), eV:	-6.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxapentacyclo[11.4.0.02,6.03,5.07,12]heptadeca-1(17),7,9,11,13,15-hexaene

Drug info:

PubChemData

Smile

C1=CC=C[N-]C=CC=C1.[K+]

DOS

IR

Vibrations