Geometry & MOs

Info

ID:	57173
PubChem CID:	22395428
Reduced:	O3C14H17 (2)
Stoich.:	A3B14C17 (2)
Weight, g/mol:	578.360739
ΔH_f, kcal/mol:	-222.79
Dipole, Da:	4.47
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C(C)(C)C2=C(C=C(C=C2CO)O)CO)C3=C(C=C(C=C3CO)O)CO

DOS

IR

Vibrations