Geometry & MOs

Info

ID:	180539
PubChem CID:	76650495
Reduced:	ClYO2C24H30 (1)
Stoich.:	ABC2D24E30 (1)
Weight, g/mol:	428.09379
ΔH_f, kcal/mol:	-58.52
Dipole, Da:	2.14
IP(EA), eV:	-4.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-phenylethyl)cyclopentyl]ethyl]-2,3-dimethylbenzene;yttrium

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)C2=C(CCC2CCCC3=CC=[C-]O3)Cl)O.[Y]

DOS

IR

Vibrations