Geometry & MOs

Info

ID:	161837
PubChem CID:	57392813
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-188.04
Dipole, Da:	2.89
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC[C@@H](C2=C(C=C(C=C2)O)O)O)O

DOS

IR

Vibrations