Geometry & MOs

Info

ID:	276415
PubChem CID:	103823123
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	-23.93
Dipole, Da:	5.82
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCC(CC2)C(C)O

DOS

IR

Vibrations