Geometry & MOs

Info

ID:	251654
PubChem CID:	103105701
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	6.95
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=CC=C(C=C2)OCC)C(=O)OC

DOS

IR

Vibrations