Geometry & MOs

Info

ID:	14945
PubChem CID:	425046
Reduced:	NNiO4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	256.011975
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.052562
Charge, e:	-1

Chem-info

IUPAC name:

[1-carboxy-2-(4-hydroxyphenyl)ethyl]azanide;nickel;hydrate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)[NH-])O.O.[Ni]

DOS

IR

Vibrations