Geometry & MOs

Info

ID:	48459
PubChem CID:	10584981
Reduced:	ClNO3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	218.95311
ΔH_f, kcal/mol:	-161.09
Dipole, Da:	5.41
IP(EA), eV:	-10.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)O)Cl

DOS

IR

Vibrations