Geometry & MOs

Info

ID:	386139
PubChem CID:	134980880
Reduced:	ReH4O4C5 (1)
Stoich.:	AB4C4D5 (1)
Weight, g/mol:	555.207678
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.145277
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;[(R)-[2-[(1R)-1-(dimethylamino)ethyl]phenyl]-(2,4,6-trimethylphenyl)methyl] (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]

DOS

IR

Vibrations