Geometry & MOs

Info

ID:	344453
PubChem CID:	127267629
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	8.39
Dipole, Da:	3.3
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCCC4

DOS

IR

Vibrations