Geometry & MOs

Info

ID:	311394
PubChem CID:	126591308
Reduced:	NO5C8H17 (1)
Stoich.:	AB5C8D17 (1)
Weight, g/mol:	442.214409
ΔH_f, kcal/mol:	-227.28
Dipole, Da:	3.69
IP(EA), eV:	-9.44(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[9-[(2E,4E)-5-(2-hydroxyethoxy)hexa-2,4-dien-2-yl]fluoren-9-yl]phenoxy]ethanol

Drug info:

PubChemData

Smile

CNCC1[C@H](C([C@@H](C(O1)CO)O)O)O

DOS

IR

Vibrations