Geometry & MOs

Info

ID:	22208
PubChem CID:	596284
Reduced:	ON4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	164.069811
ΔH_f, kcal/mol:	66.85
Dipole, Da:	2.09
IP(EA), eV:	-9.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(5-methyl-2H-triazol-4-yl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=NNN=C2C

DOS

IR

Vibrations