Geometry & MOs

Info

ID:	381668
PubChem CID:	134972466
Reduced:	AuPH16C18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	106.07825
ΔH_f, kcal/mol:	135.45
Dipole, Da:	1.52
IP(EA), eV:	-8.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-methylhepta-1,5-dien-3-yne

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]

DOS

IR

Vibrations