Geometry & MOs

Info

ID:	358600
PubChem CID:	127296359
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	4.28
IP(EA), eV:	-9.22(-0.49)
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-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)CC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations