Geometry & MOs

Info

ID:	155583
PubChem CID:	56366053
Reduced:	BrF2N2O3C18H23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-205.53
Dipole, Da:	3.34
IP(EA), eV:	-9.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1,3-dioxo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

COCCN(CC(F)F)C(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations