Geometry & MOs

Info

ID:	382687
PubChem CID:	134973999
Reduced:	BNSiO4C21H34 (1)
Stoich.:	ABCD4E21F34 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	4.77
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S,8R)-1-oxaspiro[4.5]decane-7,8-diol

Drug info:

PubChemData

Smile

[B][C@H]1C[C@H](N(O1)CC2=CC=CC=C2)[C@H]3[C@@H](CO[C@H](O3)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations