Geometry & MOs

Info

ID:	85067
PubChem CID:	49871578
Reduced:	O7C23H30 (1)
Stoich.:	A7B23C30 (1)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	-239.17
Dipole, Da:	5.67
IP(EA), eV:	-8.4(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-hydroxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@@H](O[C@@H]1C2=CC(=C(C(=C2)OC)OC)O)C3=CC(=C(C(=C3)OC)OC)OC)C

DOS

IR

Vibrations