Geometry & MOs

Info

ID:	381752
PubChem CID:	134972574
Reduced:	O3C18H32 (1)
Stoich.:	A3B18C32 (1)
Weight, g/mol:	297.24297
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	3.69
IP(EA), eV:	-9.68(0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,2S)-5-(1-hydroxy-2-methylheptan-2-yl)-1,2-dimethylbicyclo[3.2.1]octane-6,6-diol

Drug info:

PubChemData

Smile

CCCCCC(C)(CO)C1=CC([C@@H](CC1)C)(C)CC(=O)O

DOS

IR

Vibrations