Geometry & MOs

Info

ID:	155055
PubChem CID:	56320472
Reduced:	FO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	451.201968
ΔH_f, kcal/mol:	10.33
Dipole, Da:	5.13
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=CC=CC(=C2)C#N)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations