Geometry & MOs

Info

ID:	211599
PubChem CID:	81044532
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	281.246713
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	2.55
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations