Geometry & MOs

Info

ID:	410491
PubChem CID:	135083289
Reduced:	PO5H13C20 (1)
Stoich.:	AB5C13D20 (1)
Weight, g/mol:	298.99572
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	3.7
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-2-fluorocyclopropyl)-3-methoxy-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)OO

DOS

IR

Vibrations