Geometry & MOs

Info

ID:	297736
PubChem CID:	117627864
Reduced:	ClON2H13C14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	754.289544
ΔH_f, kcal/mol:	27.27
Dipole, Da:	6.87
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;3,4,5-trihydroxybenzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C(=O)C=CC(=N2)N3CCN(CC3)C4=CC=CC=C4Cl)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations