Geometry & MOs

Info

ID:	57161
PubChem CID:	22395413
Reduced:	O3C14H17 (2)
Stoich.:	A3B14C17 (2)
Weight, g/mol:	522.298139
ΔH_f, kcal/mol:	-231.29
Dipole, Da:	3.07
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations