Geometry & MOs

Info

ID:	330359
PubChem CID:	127247346
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	4.76
IP(EA), eV:	-9.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations