Geometry & MOs

Info

ID:	337034
PubChem CID:	127256599
Reduced:	OH10C14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	117.07
Dipole, Da:	2.8
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E,6E)-nona-4,6-dien-1-yn-3-yl]oxyoxane

Drug info:

PubChemData

Smile

C1C=C2C3=CC=CC=C3C=CC24C(=C1)O4

DOS

IR

Vibrations