Geometry & MOs

Info

ID:	155283
PubChem CID:	56352869
Reduced:	OF3N3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-207.02
Dipole, Da:	6.47
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-oxo-N-[2-oxo-2-[pentan-2-yl(pentyl)amino]ethyl]-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC(F)(F)F

DOS

IR

Vibrations