Geometry & MOs

Info

ID:	405103
PubChem CID:	135072524
Reduced:	O6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-245.55
Dipole, Da:	3.81
IP(EA), eV:	-9.03(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-phenylmethoxyphenyl)methyl]butane-1,4-diol

Drug info:

PubChemData

Smile

COC(=O)C[C@@H]1C[C@H]([C@H](O1)CCC2=CC=C(O2)C/C=C\CO)O

DOS

IR

Vibrations