Geometry & MOs

Info

ID:	366001
PubChem CID:	127319306
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	76.73
Dipole, Da:	4.38
IP(EA), eV:	-9.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[3-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(C=C1)CC2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations