Geometry & MOs

Info

ID:	57165
PubChem CID:	22395418
Reduced:	O3C16H21 (2)
Stoich.:	A3B16C21 (2)
Weight, g/mol:	634.42334
ΔH_f, kcal/mol:	-232.75
Dipole, Da:	1.56
IP(EA), eV:	-9.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations