Geometry & MOs

Info

ID:	282400
PubChem CID:	103925278
Reduced:	BrOF3N3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	3.02
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(cyclopentylmethylamino)propanoate

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1)C(=O)C2=C(C=C(C=C2)Br)C(F)(F)F

DOS

IR

Vibrations