Geometry & MOs

Info

ID:	201382
PubChem CID:	79530775
Reduced:	FON5C11H12 (1)
Stoich.:	ABC5D11E12 (1)
Weight, g/mol:	222.122909
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	2.91
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N)F)NCC2=C(NN=C2)N

DOS

IR

Vibrations