Geometry & MOs

Info

ID:	410321
PubChem CID:	135083114
Reduced:	ON2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	974.20629
ΔH_f, kcal/mol:	25.85
Dipole, Da:	4.28
IP(EA), eV:	-8.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethynylbenzene;ruthenium(2+);tris(2-diphenylphosphanylethyl)phosphane

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)OC)N(N=N2)N

DOS

IR

Vibrations