Geometry & MOs

Info

ID:	264412
PubChem CID:	103459751
Reduced:	BrO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-141.68
Dipole, Da:	5.08
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylphenyl)-3-ethylpentane-1,2-diol

Drug info:

PubChemData

Smile

CCC(CC)C(C(CC1=CC(=CC2=C1OCC2)Br)O)O

DOS

IR

Vibrations