Geometry & MOs

Info

ID:	344427
PubChem CID:	127267603
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	2.9
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations