Geometry & MOs

Info

ID:	125336
PubChem CID:	50920221
Reduced:	NiN2O3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	2055.69495
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.637256
Charge, e:	-2

Chem-info

IUPAC name:

cyclohexylmethanediol;manganese;phenylmethanediol;piperidin-1-ide;2H-pyridin-1-ide;dihydrate

Drug info:

PubChemData

Smile

C[CH-]OC(=O)O.C1CC[N-]C(C1)C2=CC=CC[N-]2.[Ni+3]

DOS

IR

Vibrations