Geometry & MOs

Info

ID:	430587
PubChem CID:	135170653
Reduced:	ON2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	24.54
Dipole, Da:	1.78
IP(EA), eV:	-10.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methyl-2,5-dihydropyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)C)C#N

DOS

IR

Vibrations