Geometry & MOs

Info

ID:	348787
PubChem CID:	127274435
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-59.23
Dipole, Da:	1.83
IP(EA), eV:	-9.54(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations