Geometry & MOs

Info

ID:	446081
PubChem CID:	135272245
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-17.97
Dipole, Da:	4.36
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=C1)CC2=NC(=NO2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations