Geometry & MOs

Info

ID:	157763
PubChem CID:	56437043
Reduced:	ClON4H21C24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	454.212867
ΔH_f, kcal/mol:	72.65
Dipole, Da:	3.19
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)CNCC3=CC=C(C=C3)N4C=CC=N4)Cl

DOS

IR

Vibrations