Geometry & MOs

Info

ID:	7172
PubChem CID:	71468
Reduced:	CaN6O6H16C18 (1)
Stoich.:	AB6C6D16E18 (1)
Weight, g/mol:	452.075723
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	4.14
IP(EA), eV:	-9.44(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;2-(pyridine-4-carbonylhydrazinylidene)propanoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].CC(=NNC(=O)C1=CC=NC=C1)C(=O)[O-].[Ca+2]

DOS

IR

Vibrations