Geometry & MOs

Info

ID:	369607
PubChem CID:	127334887
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-98.01
Dipole, Da:	7.35
IP(EA), eV:	-8.99(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=NOC(=N3)C(C)(C)C

DOS

IR

Vibrations