Geometry & MOs

Info

ID:	448420
PubChem CID:	135290767
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	285.082407
ΔH_f, kcal/mol:	68.32
Dipole, Da:	2.45
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4,4,4-trifluoro-3,3-dimethyl-2-(oxetan-3-yloxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C#CC1=CN=C(C=C1)N2CCN(CC2)C3COC3

DOS

IR

Vibrations