Geometry & MOs

Info

ID:	408957
PubChem CID:	135081729
Reduced:	CsNC8H8 (1)
Stoich.:	ABC8D8 (1)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	51.4
Dipole, Da:	7.73
IP(EA), eV:	-6.19(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-8,11-dioxatetracyclo[4.3.3.01,6.07,9]dodeca-2,4-diene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations