Geometry & MOs

Info

ID:	261778
PubChem CID:	103250320
Reduced:	NF3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	276.99253
ΔH_f, kcal/mol:	-269.14
Dipole, Da:	4.84
IP(EA), eV:	-9.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(3,3,3-trifluoropropylamino)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OCCNCCC(F)(F)F

DOS

IR

Vibrations