Geometry & MOs

Info

ID:	357604
PubChem CID:	127294277
Reduced:	OSN7C16H29 (1)
Stoich.:	ABC7D16E29 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	18.84
Dipole, Da:	2.1
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations