Geometry & MOs

Info

ID:	47826
PubChem CID:	10535502
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	1.93
IP(EA), eV:	-10.67(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4aR,8aS)-1-(hydroxymethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

CC[C@H]1CCC[C@@H]1CC(=O)OCC

DOS

IR

Vibrations