Geometry & MOs

Info

ID:	359322
PubChem CID:	127298369
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-56.31
Dipole, Da:	3.75
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations