Geometry & MOs

Info

ID:	221805
PubChem CID:	85286161
Reduced:	NiO2N4C36H46 (1)
Stoich.:	AB2C4D36E46 (1)
Weight, g/mol:	627.093241
ΔH_f, kcal/mol:	251.59
Dipole, Da:	5.51
IP(EA), eV:	-7.64(-3.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-acetyl-5-thiophen-2-ylpyrazolidin-3-ylidene)cyclohexa-2,4-dien-1-one;manganese

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(C4(CC)O)(CC)O)C(=C3CC)CC)CC.[Ni+2]

DOS

IR

Vibrations