Geometry & MOs

Info

ID:	360893
PubChem CID:	127301590
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	4.79
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations