Geometry & MOs

Info

ID:	211552
PubChem CID:	81044362
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	281.246713
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	3.31
IP(EA), eV:	-8.75(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-3-methylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N(C)CC1CCN(C1)C)C2CCCNC2

DOS

IR

Vibrations