Geometry & MOs

Info

ID:	181656
PubChem CID:	76771164
Reduced:	ClO3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	496.14114
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	0.95
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-chloro-3-hex-2-enyl-2-[[3-(1-hydroxyhexyl)phenoxy]methyl]cyclopentan-1-ol;yttrium

Drug info:

PubChemData

Smile

CCCC=CCC1C(CC(C1COC2=CC=CC(=C2)C(CC3=CC=CC=C3)O)O)Cl

DOS

IR

Vibrations