Geometry & MOs

Info

ID:	336793
PubChem CID:	127255800
Reduced:	Cl2F2H4C7 (1)
Stoich.:	A2B2C4D7 (1)
Weight, g/mol:	301.152537
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	2.42
IP(EA), eV:	-9.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O,4-O-diethyl (2R,4S)-azetidine-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CCl)F)F)Cl

DOS

IR

Vibrations