Geometry & MOs

Info

ID:	16791
PubChem CID:	476855
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	1.68
IP(EA), eV:	-8.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1)O)O)[C@H](C)CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations