Geometry & MOs

Info

ID:	226372
PubChem CID:	87351114
Reduced:	NO3C15H21 (2)
Stoich.:	AB3C15D21 (2)
Weight, g/mol:	158.077073
ΔH_f, kcal/mol:	-205.27
Dipole, Da:	4.49
IP(EA), eV:	-9.54(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(trideuteriomethyl)-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC(CNC(=O)/C=C/C(=O)OC)C(=O)O

DOS

IR

Vibrations