Geometry & MOs

Info

ID:	407951
PubChem CID:	135080706
Reduced:	F3N3O3C7H8 (1)
Stoich.:	A3B3C3D7E8 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-190.93
Dipole, Da:	3.9
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-benzyl-3-(hydroxymethyl)-4-methylazetidin-2-one

Drug info:

PubChemData

Smile

CC(=NOCC(F)(F)F)/C(=C(\[O-])/OC)/[N+]#N

DOS

IR

Vibrations