Geometry & MOs

Info

ID:	344432
PubChem CID:	127267608
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	1.22
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C(C)NC(=O)CC3CCCCC3

DOS

IR

Vibrations