Geometry & MOs

Info

ID:	221052
PubChem CID:	85256638
Reduced:	NF2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-154.75
Dipole, Da:	3.57
IP(EA), eV:	-8.99(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-1-phenylethyl)-3-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3CC(C2=O)CC3(F)F

DOS

IR

Vibrations