Geometry & MOs

Info

ID:	373826
PubChem CID:	131320385
Reduced:	BrN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	280.94116
ΔH_f, kcal/mol:	5.84
Dipole, Da:	3.11
IP(EA), eV:	-9.78(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-bromo-3-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2C[C@H]1N)[N+](=O)[O-])Br

DOS

IR

Vibrations