Geometry & MOs

Info

ID:	436978
PubChem CID:	135213450
Reduced:	PO6C12H21 (1)
Stoich.:	AB6C12D21 (1)
Weight, g/mol:	326.124212
ΔH_f, kcal/mol:	-295.36
Dipole, Da:	4.64
IP(EA), eV:	-9.82(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CC(OC1COP(=O)(O)OC)C2C3C2CC3

DOS

IR

Vibrations