Geometry & MOs

Info

ID:	360552
PubChem CID:	127301197
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	379.294725
ΔH_f, kcal/mol:	-130.89
Dipole, Da:	3.95
IP(EA), eV:	-8.57(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations