Geometry & MOs

Info

ID:	57164
PubChem CID:	22395416
Reduced:	O6C15H16 (1)
Stoich.:	A6B15C16 (1)
Weight, g/mol:	522.298139
ΔH_f, kcal/mol:	-245.29
Dipole, Da:	2.26
IP(EA), eV:	-8.99(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-[3-[4-hydroxy-2,6-bis(hydroxymethyl)phenyl]pentan-3-yl]phenyl]pentan-3-yl]-3,5-bis(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(O)O)C(O)O)O

DOS

IR

Vibrations