Geometry & MOs

Info

ID:	187557
PubChem CID:	77591430
Reduced:	F3N4O7C30H33 (1)
Stoich.:	A3B4C7D30E33 (1)
Weight, g/mol:	299.169274
ΔH_f, kcal/mol:	-403.44
Dipole, Da:	1.76
IP(EA), eV:	-8.69(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)C(CCO)NC(=O)CCCNC3=CC=CC=N3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations