Geometry & MOs

Info

ID:	386427
PubChem CID:	134981706
Reduced:	AuPC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	110.09
Dipole, Da:	1.99
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxynon-5-yn-2-one

Drug info:

PubChemData

Smile

[CH3-].[CH3-].[CH3-].CP(C1=CC=CC=C1)C2=CC=CC=C2.[Au+3]

DOS

IR

Vibrations