Geometry & MOs

Info

ID:	361694
PubChem CID:	127304409
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	-82.39
Dipole, Da:	4.71
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3CCCO3

DOS

IR

Vibrations