Geometry & MOs

Info

ID:	399456
PubChem CID:	135040378
Reduced:	BrN5H6C10 (1)
Stoich.:	AB5C6D10 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	145.76
Dipole, Da:	0.68
IP(EA), eV:	-9.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-8,12-dioxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-ol

Drug info:

PubChemData

Smile

C1=CN=C(C=C1N=[N+]=[N-])C2=NC=CC(=C2)Br

DOS

IR

Vibrations