Geometry & MOs

Info

ID:	57174
PubChem CID:	22395429
Reduced:	O3C18H25 (2)
Stoich.:	A3B18C25 (2)
Weight, g/mol:	352.132217
ΔH_f, kcal/mol:	-241.88
Dipole, Da:	1.42
IP(EA), eV:	-9.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-1-[4-hydroxy-2,6-bis(hydroxymethyl)phenyl]ethyl]-3,5-bis(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations