Geometry & MOs

Info

ID:	252564
PubChem CID:	103112334
Reduced:	ClON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	5.24
IP(EA), eV:	-9.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=C(C=NC=C2)N=C1CCCl

DOS

IR

Vibrations