Geometry & MOs

Info

ID:	159081
PubChem CID:	57260129
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	3.42
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)OCC2=CC=CC=N2

DOS

IR

Vibrations