Geometry & MOs

Info

ID:	238663
PubChem CID:	92765003
Reduced:	ON6C25H38 (1)
Stoich.:	AB6C25D38 (1)
Weight, g/mol:	472.279804
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	8.01
IP(EA), eV:	-7.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)C=NC3=C(C=NN23)C(=O)NCCCN4CCN(CC4)C5CCCCC5

DOS

IR

Vibrations