Geometry & MOs

Info

ID:	57169
PubChem CID:	22395423
Reduced:	C3H5 (6)
Stoich.:	A3B5 (6)
Weight, g/mol:	578.360739
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	0.22
IP(EA), eV:	-8.89(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CC)C1=CC=C(C=C1)C(CC)CCC

DOS

IR

Vibrations