Geometry & MOs

Info

ID:	150614
PubChem CID:	53790307
Reduced:	O13C30H40 (1)
Stoich.:	A13B30C40 (1)
Weight, g/mol:	368.09277
ΔH_f, kcal/mol:	-555.32
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(C(O1)OCC2C(C(C([C@H](O2)OC(CCC3=CC=C(C=C3)O)CC(=O)CCC4=CC=C(C=C4)O)O)O)O)O)(CO)O

DOS

IR

Vibrations