Geometry & MOs

Info

ID:	367638
PubChem CID:	127325162
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-140.02
Dipole, Da:	4.12
IP(EA), eV:	-9.07(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(NN=C1C(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O)C

DOS

IR

Vibrations