Geometry & MOs

Info

ID:	146043
PubChem CID:	53627311
Reduced:	OF2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	3.17
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NCCC2=C(C=CC=C2F)F)CN3C=CC=N3

DOS

IR

Vibrations