Geometry & MOs

Info

ID:	357523
PubChem CID:	127294156
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	14.08
Dipole, Da:	6.08
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[4-(1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)N4CCCC4C5=CN(N=C5)C)F

DOS

IR

Vibrations