Geometry & MOs

Info

ID:	410696
PubChem CID:	135083497
Reduced:	AuOPC25H26 (1)
Stoich.:	ABCD25E26 (1)
Weight, g/mol:	528.091747
ΔH_f, kcal/mol:	179.34
Dipole, Da:	5.09
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-yn-1-ol;gold(1+);triphenylphosphane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations