Geometry & MOs

Info

ID:	219609
PubChem CID:	85149477
Reduced:	O5C17H21 (2)
Stoich.:	A5B17C21 (2)
Weight, g/mol:	611.061871
ΔH_f, kcal/mol:	-279.9
Dipole, Da:	8.57
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxy-2-[3-methoxy-4-[11-(2,3,4,5,6-pentachlorophenoxy)undecoxy]phenyl]ethenediazonium

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1C(C(C2(C3CCC4(C(C3=CC1(C2=O)OC(=O)C)CC(=O)OC4C5=COC=C5)C)C)CC(=O)OC)(C)C

DOS

IR

Vibrations