Geometry & MOs

Info

ID:	412094
PubChem CID:	135084960
Reduced:	CuN2O2C30H30 (1)
Stoich.:	AB2C2D30E30 (1)
Weight, g/mol:	382.06571
ΔH_f, kcal/mol:	71.54
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851782
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;iridium;2-pyridin-2-ylpyridine;hydrate

Drug info:

PubChemData

Smile

C[C@@H](N/C=C/1\C(=O)C=CC=C1)C2=CC=CC=C2.C[C@@H](N/C=C/1\C(=O)C=CC=C1)C2=CC=CC=C2.[Cu]

DOS

IR

Vibrations