Geometry & MOs

Info

ID:	380217
PubChem CID:	134970580
Reduced:	SnC25H42 (1)
Stoich.:	AB25C42 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	3.39
Dipole, Da:	0.69
IP(EA), eV:	-9.29(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-6-ol

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)[C@@H]1C([C@@]1(C)C2=CC=CC=C2)CC=C

DOS

IR

Vibrations