Geometry & MOs

Info

ID:	412003
PubChem CID:	135084866
Reduced:	P7O21F81H84C162 (1)
Stoich.:	A7B21C81D84E162 (1)
Weight, g/mol:	1140.30691
ΔH_f, kcal/mol:	-4710.94
Dipole, Da:	8.36
IP(EA), eV:	-9.94(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

nickel;tris(2-methylphenyl) phosphite;cyanide

Drug info:

Smile

C1=CC(=CC=C1C(C(C2=CC=C(C=C2)OP(OC3=CC=C(C=C3)C(C(F)(F)F)(F)F)OC4=CC=C(C=C4)C(C(F)(F)F)(F)F)(C(C5=CC=C(C=C5)OP(OC6=CC=C(C=C6)C(C(F)(F)F)(F)F)OC7=CC=C(C=C7)C(C(F)(F)F)(F)F)(C(C8=CC=C(C=C8)OP(OC9=CC=C(C=C9)C(C(F)(F)F)(F)F)OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)(C(F)(F)F)F)F)F)(C(C1=CC=C(C=C1)OP(OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)(C(C1=CC=C(C=C1)OP(OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)(C(C1=CC=C(C=C1)OP(OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)(F)F)F)F)F)OP(OC1=CC=C(C=C1)C(C(F)(F)F)(F)F)OC1=CC=C(C=C1)C(C(F)(F)F)(F)F

DOS

IR

Vibrations