Geometry & MOs

Info

ID:	397005
PubChem CID:	135029586
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	317.105193
ΔH_f, kcal/mol:	59.9
Dipole, Da:	2.41
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-oxo-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2,4,8,10,12,15,17-octaene-16-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)N=NC2=CC=CC=C2/C=C/C(C3=CC=CC=C3)O

DOS

IR

Vibrations