Geometry & MOs

Info

ID:	85406
PubChem CID:	49874813
Reduced:	ClO4H8C10 (2)
Stoich.:	AB4C8D10 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-311.07
Dipole, Da:	6.11
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzylbicyclo[2.2.1]heptane-2,5-diol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)CC2=CC=C(C=C2)Cl)C(=O)O)Cl

DOS

IR

Vibrations