Geometry & MOs

Info

ID:	159281
PubChem CID:	57269420
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	187.040006
ΔH_f, kcal/mol:	-204.59
Dipole, Da:	4.17
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(oxiran-2-yl)-3-propan-2-yl-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(CNCC(=O)OC1=CC=CC(=C1)O)OC(=O)C

DOS

IR

Vibrations