Geometry & MOs

Info

ID:	45949
PubChem CID:	10519550
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	3.66
IP(EA), eV:	-9.48(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3R)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-(4-methylphenyl)oxiran-2-yl]pentan-3-ol

Drug info:

PubChemData

Smile

C/C=C/[C@H]1[C@H](N1CC(=O)OC(C)(C)C)COCC2=CC=CC=C2

DOS

IR

Vibrations