Geometry & MOs

Info

ID:	370651
PubChem CID:	127339810
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	4.49
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CN(C(=O)NC3=O)C

DOS

IR

Vibrations