Geometry & MOs

Info

ID:	85730
PubChem CID:	49878559
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	49.91
Dipole, Da:	2.89
IP(EA), eV:	-9.09(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylpiperazin-1-yl)-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=NC(=NO2)C3=CN=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations