Geometry & MOs

Info

ID:	45610
PubChem CID:	10515538
Reduced:	OCl2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	261.063722
ΔH_f, kcal/mol:	-72.44
Dipole, Da:	2.45
IP(EA), eV:	-9.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl [(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl] carbonate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CCCCCCCO

DOS

IR

Vibrations