Geometry & MOs

Info

ID:	51211
PubChem CID:	12013851
Reduced:	OC12H12 (2)
Stoich.:	AB12C12 (2)
Weight, g/mol:	352.078556
ΔH_f, kcal/mol:	13.46
Dipole, Da:	2.92
IP(EA), eV:	-8.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8R)-3,7-bis(3-chlorophenyl)-1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene

Drug info:

PubChemData

Smile

CC12C=C([C@@H]3C1([C@@H]3C(=C2)C4=CC=C(C=C4)OC)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations