Geometry & MOs

Info

ID:	389077
PubChem CID:	134991080
Reduced:	NiN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	780.0473
ΔH_f, kcal/mol:	115.81
Dipole, Da:	9.54
IP(EA), eV:	-7.82(-3.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C.CN/C=C/1\C(=O)C=CC=C1.CN/C=C/1\C(=O)C=CC=C1.[Ni]

DOS

IR

Vibrations