Geometry & MOs

Info

ID:	157764
PubChem CID:	56437081
Reduced:	FO3N6C23H27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	454.212867
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	6.74
IP(EA), eV:	-9.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCC(CC3)CNC(=O)C4=CN(N=C4)C)F

DOS

IR

Vibrations