Geometry & MOs

Info

ID:	364396
PubChem CID:	127315573
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	27.21
Dipole, Da:	7.04
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=CN3C=NN=C3C=C2

DOS

IR

Vibrations