Geometry & MOs

Info

ID:	151520
PubChem CID:	53837753
Reduced:	F3N3O3C30H32 (1)
Stoich.:	A3B3C3D30E32 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-249.35
Dipole, Da:	6.05
IP(EA), eV:	-8.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-phenylmethoxypyridin-2-yl)-4,5-dihydroisoindole-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations