Geometry & MOs

Info

ID:	390447
PubChem CID:	134999183
Reduced:	NO3C11H15 (2)
Stoich.:	AB3C11D15 (2)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-259.86
Dipole, Da:	6.66
IP(EA), eV:	-8.9(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-[(2S)-2-methyl-1-[(1R)-1-phenylethyl]aziridin-2-yl]-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@H]2CCN(C[C@H]2C(=O)N1CC3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations