Geometry & MOs

Info

ID:	52111
PubChem CID:	12014896
Reduced:	NH6C9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	186.125594
ΔH_f, kcal/mol:	110.08
Dipole, Da:	0.02
IP(EA), eV:	-6.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5S,7R)-7-(hydroxymethyl)-4,7-dimethyl-6-oxabicyclo[3.2.1]octan-4-ol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=CC=C[N+]3=C1)C4=CC=C[N+]5=CC=CC2=C45

DOS

IR

Vibrations