Geometry & MOs

Info

ID:	214789
PubChem CID:	85083642
Reduced:	NiO2N4H30C36 (1)
Stoich.:	AB2C4D30E36 (1)
Weight, g/mol:	613.08139
ΔH_f, kcal/mol:	317.03
Dipole, Da:	4.25
IP(EA), eV:	-7.35(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=CC=C3)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=CC=C5)[O-])C)C)C.[Ni+2]

DOS

IR

Vibrations