Geometry & MOs

Info

ID:	26047
PubChem CID:	636886
Reduced:	O2C5H7 (6)
Stoich.:	A2B5C7 (6)
Weight, g/mol:	356.09871
ΔH_f, kcal/mol:	-540.9
Dipole, Da:	7.08
IP(EA), eV:	-9.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]-4-methoxyphenol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@@H]([C@]2([C@@]1([C@H]([C@@]3([C@H](C(=O)O[C@H]3/C=C(/CC[C@H]2OC(=O)C)\C(=O)C)C)O)OC(=O)C)C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations