Geometry & MOs

Info

ID:	359342
PubChem CID:	127298391
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	6.44
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)CC(=O)N4CCN(CC4)C)NN=C2

DOS

IR

Vibrations