Geometry & MOs

Info

ID:	344580
PubChem CID:	127268164
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	371.224263
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	2.9
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)CC2=NOC(=N2)C3CCOCC3)C

DOS

IR

Vibrations