Geometry & MOs

Info

ID:	363046
PubChem CID:	127310077
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	6.21
IP(EA), eV:	-9.14(0.41)
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-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations