Geometry & MOs

Info

ID:	344425
PubChem CID:	127267601
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	25.17
Dipole, Da:	4.84
IP(EA), eV:	-9.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCN(CC3)CC4=NC(=NO4)C)C

DOS

IR

Vibrations