Geometry & MOs

Info

ID:	351559
PubChem CID:	127280451
Reduced:	O2N7C17H23 (1)
Stoich.:	A2B7C17D23 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	4.29
Dipole, Da:	4.06
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations