Geometry & MOs

Info

ID:	57166
PubChem CID:	22395419
Reduced:	O3C20H29 (2)
Stoich.:	A3B20C29 (2)
Weight, g/mol:	466.235539
ΔH_f, kcal/mol:	-255.53
Dipole, Da:	2.33
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations