Geometry & MOs

Info

ID:	26146
PubChem CID:	639215
Reduced:	C13H18 (1)
Stoich.:	A13B18 (1)
Weight, g/mol:	157.037508
ΔH_f, kcal/mol:	19.06
Dipole, Da:	0.79
IP(EA), eV:	-9.47(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-oxo-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

C=C1C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C14CC4

DOS

IR

Vibrations