Geometry & MOs

Info

ID:	348024
PubChem CID:	127273086
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	19.18
Dipole, Da:	5.83
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCCCC2C3=NN=C4N3CCCC4

DOS

IR

Vibrations