Geometry & MOs

Info

ID:	430437
PubChem CID:	135170501
Reduced:	ClF2N2H5C6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-68.29
Dipole, Da:	3.0
IP(EA), eV:	-10.47(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3-methyl-2,5-dihydropyrrol-2-yl] ethyl carbonate

Drug info:

PubChemData

Smile

CC1=CC(=CN=N1)C(F)(F)Cl

DOS

IR

Vibrations