Geometry & MOs

Info

ID:	145916
PubChem CID:	53611789
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	16.36
Dipole, Da:	5.33
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)CC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations