Geometry & MOs

Info

ID:	378694
PubChem CID:	134224788
Reduced:	BrF2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	180.053492
ΔH_f, kcal/mol:	-151.03
Dipole, Da:	1.27
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-nitrosopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OCF)OCF

DOS

IR

Vibrations