Geometry & MOs

Info

ID:	339793
PubChem CID:	127261802
Reduced:	NOC21H37 (1)
Stoich.:	ABC21D37 (1)
Weight, g/mol:	209.060742
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	3.1
IP(EA), eV:	-9.61(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-5-(chloromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC1=CC(=NO1)C

DOS

IR

Vibrations