Geometry & MOs

Info

ID:	407981
PubChem CID:	135080736
Reduced:	NiN8H44C48 (1)
Stoich.:	AB8C44D48 (1)
Weight, g/mol:	260.013587
ΔH_f, kcal/mol:	386.9
Dipole, Da:	9.21
IP(EA), eV:	-8.23(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(E)-1,2-dichloroethenyl]-propoxyphosphoryl]oxypropane

Drug info:

PubChemData

Smile

CC1(C2=NC3=NC(=NC4=C(C(=C([N-]4)N=C5C(C(C(=N5)N=C(C1(C)C)[N-]2)(C)C)(C)C)C6=CC=CC=C6)C7=CC=CC=C7)C(=C3C8=CC=CC=C8)C9=CC=CC=C9)C.[Ni+2]

DOS

IR

Vibrations