Geometry & MOs

Info

ID:	252831
PubChem CID:	103114414
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	2.22
IP(EA), eV:	-10.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)CN1C(=C(N=N1)C(=O)OCC=C)C

DOS

IR

Vibrations