Geometry & MOs

Info

ID:	71390
PubChem CID:	48414769
Reduced:	OF2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.5
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-but-3-ynylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations