Geometry & MOs

Info

ID:	123085
PubChem CID:	50832260
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	12.59
Dipole, Da:	5.61
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations