Geometry & MOs

Info

ID:	137269
PubChem CID:	52180800
Reduced:	F2O2C5H7 (1)
Stoich.:	A2B2C5D7 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-186.88
Dipole, Da:	2.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754551
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC(F)F)C(=O)[O-]

DOS

IR

Vibrations