Geometry & MOs

Info

ID:	391543
PubChem CID:	135006424
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	4.81
IP(EA), eV:	-9.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R,5R)-4-phenyl-3-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

COCO[C@@H]1CCC(=O)N2[C@H]1C=CCO2

DOS

IR

Vibrations