Geometry & MOs

Info

ID:	449947
PubChem CID:	135302758
Reduced:	BrF2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-143.69
Dipole, Da:	3.63
IP(EA), eV:	-9.56(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(5-fluoropyridin-2-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC2CC3C(C2)C(=C1)C3OC(=O)C(F)(F)Br

DOS

IR

Vibrations