Geometry & MOs

Info

ID:	130305
PubChem CID:	51075561
Reduced:	F2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	330.0652
ΔH_f, kcal/mol:	-174.88
Dipole, Da:	2.76
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations