Geometry & MOs

Info

ID:	359428
PubChem CID:	127298565
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	58.7
Dipole, Da:	7.3
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CN2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations