Geometry & MOs

Info

ID:	399951
PubChem CID:	135044107
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	164.048487
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	3.66
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-oxo-3-propan-2-yloxypropanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NCCO)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations