Geometry & MOs

Info

ID:	360902
PubChem CID:	127301599
Reduced:	ON2C6H10 (3)
Stoich.:	AB2C6D10 (3)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	5.17
IP(EA), eV:	-8.94(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCN(CC3)C(=O)N(C)C

DOS

IR

Vibrations