Geometry & MOs

Info

ID:	357595
PubChem CID:	127294268
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	343.192963
ΔH_f, kcal/mol:	31.68
Dipole, Da:	5.3
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations