Geometry & MOs

Info

ID:	385748
PubChem CID:	134979895
Reduced:	ClC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	322.172151
ΔH_f, kcal/mol:	12.79
Dipole, Da:	2.11
IP(EA), eV:	-9.55(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C1(C2=CC=CC=C2)Cl)C

DOS

IR

Vibrations