Geometry & MOs

Info

ID:	38061
PubChem CID:	8026722
Reduced:	NO5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	276.07933
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	1.22
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC2=C3C(=CC(=C2)C(=O)COC(=O)/C=C/C4=CC=CO4)CC(=O)N3C1

DOS

IR

Vibrations