Geometry & MOs

Info

ID:	344473
PubChem CID:	127267649
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	36.94
Dipole, Da:	4.98
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations