Geometry & MOs

Info

ID:	251556
PubChem CID:	103104869
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	5.4
IP(EA), eV:	-10.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC(=CC=C2)C(=O)N)C

DOS

IR

Vibrations