Geometry & MOs

Info

ID:	136569
PubChem CID:	52065219
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	7.17
Dipole, Da:	2.27
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCC(CC3)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations