Geometry & MOs

Info

ID:	330340
PubChem CID:	127247327
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	6.23
IP(EA), eV:	-9.14(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCC3=C(ON=C3C)C

DOS

IR

Vibrations