Geometry & MOs

Info

ID:	71209
PubChem CID:	48414454
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	82.47
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-2-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations