Geometry & MOs

Info

ID:	254669
PubChem CID:	103126852
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	292.128388
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	3.82
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2C(=C(N=N2)C(=O)OC)C3CCCN3

DOS

IR

Vibrations