Geometry & MOs

Info

ID:	371705
PubChem CID:	131270808
Reduced:	BrN3H6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	301.915
ΔH_f, kcal/mol:	80.06
Dipole, Da:	4.42
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-nitro-4-(trifluoromethoxy)pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N2C1=C(C=N2)C#N)Br

DOS

IR

Vibrations