Geometry & MOs

Info

ID:	155049
PubChem CID:	56320321
Reduced:	FO2N4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	463.238353
ΔH_f, kcal/mol:	4.72
Dipole, Da:	4.56
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations