Geometry & MOs

Info

ID:	85366
PubChem CID:	49874353
Reduced:	NYO5C8H19 (1)
Stoich.:	ABC5D8E19 (1)
Weight, g/mol:	873.3668
ΔH_f, kcal/mol:	-221.63
Dipole, Da:	1.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758947
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-9-[2-(4-methylpyridin-2-yl)pyridin-4-yl]nonanamide;2-pyridin-2-ylpyridine;ruthenium

Drug info:

PubChemData

Smile

C(CO)N(CCO)C(CO)(CO)CO.[Y]

DOS

IR

Vibrations