Geometry & MOs

Info

ID:	323252
PubChem CID:	126673792
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	251.98983
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	3.99
IP(EA), eV:	-9.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-9-oxa-2,3-diazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C(=O)OCC)N1C=CC=N1

DOS

IR

Vibrations