Geometry & MOs

Info

ID:	371940
PubChem CID:	131281547
Reduced:	BrON4C6H7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	337.99275
ΔH_f, kcal/mol:	28.26
Dipole, Da:	5.57
IP(EA), eV:	-9.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-fluoro-4-iodopyridin-3-yl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)C(C#N)N)Br

DOS

IR

Vibrations