Geometry & MOs

Info

ID:	399238
PubChem CID:	135038990
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	2.66
IP(EA), eV:	-9.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S,4S)-1,4-dimethyl-3-phenyl-2-prop-2-enylazetidine-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](O1)[C@@H](C=CCl)OCC2=CC=CC=C2

DOS

IR

Vibrations