Geometry & MOs

Info

ID:	380480
PubChem CID:	134970941
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	316.182715
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	2.58
IP(EA), eV:	-9.3(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,5R)-2-anthracen-9-yl-6,6-dimethylbicyclo[3.1.1]heptan-3-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N1CC2C=CC=C2)C(=O)OC

DOS

IR

Vibrations