Geometry & MOs

Info

ID:	409206
PubChem CID:	135081985
Reduced:	O13C34H36 (1)
Stoich.:	A13B34C36 (1)
Weight, g/mol:	668.02653
ΔH_f, kcal/mol:	-500.68
Dipole, Da:	3.35
IP(EA), eV:	-8.88(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cumene;dichlororuthenium;methane

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)COC[C@@H]2[C@H]([C@H]([C@H](O[C@H]2C3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)C)O)O)O)OC)O

DOS

IR

Vibrations