Geometry & MOs

Info

ID:	394304
PubChem CID:	135022742
Reduced:	BrO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	4.37
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,6R)-6-(4-methoxyphenyl)oxan-2-yl]methyl]phenol

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@@]2([C@H](CCO2)CCC3=CC=CC=C3)OC4=C1C=C(C=C4)Br

DOS

IR

Vibrations