Geometry & MOs

Info

ID:	387791
PubChem CID:	134986942
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	326.90813
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	1.19
IP(EA), eV:	-8.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,12-dibromo-13-azatricyclo[7.3.1.05,13]trideca-1,3,6,8,10-pentaene

Drug info:

PubChemData

Smile

CC(C)N1C=CC2=CC(=CC(=C2C1=O)OC)OC

DOS

IR

Vibrations