Geometry & MOs

Info

ID:	50258
PubChem CID:	12012774
Reduced:	H2F3C5N5 (1)
Stoich.:	A2B3C5D5 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-27.39
Dipole, Da:	6.27
IP(EA), eV:	-11.23(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(N2C(=NN=N2)N=C1)C(F)(F)F

DOS

IR

Vibrations