Geometry & MOs

Info

ID:	360895
PubChem CID:	127301592
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	2.48
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations