Geometry & MOs

Info

ID:	402205
PubChem CID:	135054925
Reduced:	SiO7C40H52 (1)
Stoich.:	AB7C40D52 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-336.67
Dipole, Da:	4.91
IP(EA), eV:	-9.02(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1R,2R)-1-naphthalen-2-ylpent-3-ene-1,2-diol

Drug info:

PubChemData

Smile

CCCCC[C@@H]1CC2=CC(=C(C3=C2[C@@H](O1)C[C@]4(O3)[C@H]([C@@H](CO4)CCO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C(=O)OC)O

DOS

IR

Vibrations