Geometry & MOs

Info

ID:	203173
PubChem CID:	79790199
Reduced:	BrFNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	5.91
IP(EA), eV:	-9.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)COC2=CN=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations