Geometry & MOs

Info

ID:	380811
PubChem CID:	134971376
Reduced:	FO9C26H43 (1)
Stoich.:	AB9C26D43 (1)
Weight, g/mol:	296.019999
ΔH_f, kcal/mol:	-522.78
Dipole, Da:	4.94
IP(EA), eV:	-10.49(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-chloro-2-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1[C@@H](C(C([C@H](O1)F)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations