Geometry & MOs

Info

ID:	142230
PubChem CID:	53003941
Reduced:	FO3N6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	371.114903
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	2.46
IP(EA), eV:	-8.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations