Geometry & MOs

Info

ID:	408742
PubChem CID:	135081510
Reduced:	AuPH17C21 (2)
Stoich.:	ABC17D21 (2)
Weight, g/mol:	319.063545
ΔH_f, kcal/mol:	308.45
Dipole, Da:	10.1
IP(EA), eV:	-8.29(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethylbut-1-yne;gold(1+);isocyanomethane

Drug info:

PubChemData

Smile

[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Au+].[Au+]

DOS

IR

Vibrations