Geometry & MOs

Info

ID:	365639
PubChem CID:	127318360
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	4.37
IP(EA), eV:	-9.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C3=NC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations