Geometry & MOs

Info

ID:	252625
PubChem CID:	103112785
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	3.44
IP(EA), eV:	-10.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2C(=C(N=N2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations