Geometry & MOs

Info

ID:	51110
PubChem CID:	12013734
Reduced:	OH13C17 (2)
Stoich.:	AB13C17 (2)
Weight, g/mol:	330.042564
ΔH_f, kcal/mol:	66.06
Dipole, Da:	2.02
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R,6R)-1,4-dichloro-3-hydroxy-7,7-dimethoxy-6-phenylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2[C@H](C(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC6=C(O5)C=CC7=CC=CC=C76

DOS

IR

Vibrations