Geometry & MOs

Info

ID:	251618
PubChem CID:	103105359
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	1.62
IP(EA), eV:	-10.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC)C(C)C

DOS

IR

Vibrations