Geometry & MOs

Info

ID:	221018
PubChem CID:	85248216
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-242.22
Dipole, Da:	4.29
IP(EA), eV:	-10.02(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethyl-3-(4-methylphenyl)oxiran-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(=O)OC(O1)(C)C(C)(C)C)C(C(=O)OC)N

DOS

IR

Vibrations