Geometry & MOs

Info

ID:	147679
PubChem CID:	53787336
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	350.082205
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	2.88
IP(EA), eV:	-9.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenoxy)-2-(pyridin-3-ylmethyl)isoindol-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)CC(=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations