Geometry & MOs

Info

ID:	45567
PubChem CID:	10514994
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	-79.38
Dipole, Da:	4.85
IP(EA), eV:	-8.4(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-acetyloxy-5-(1,3-oxazol-4-yl)pent-4-en-2-yl] acetate

Drug info:

PubChemData

Smile

CCCN1CCO[C@H]2[C@H]1CC(=O)/C(=C/N(C)C)/C2

DOS

IR

Vibrations