Geometry & MOs

Info

ID:	3933
PubChem CID:	10463
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	19.34
Dipole, Da:	2.89
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadeca-8,10,12-trien-4,6-diyne-1,14-diol

Drug info:

PubChemData

Smile

CCCC(C=CC=CC=CC#CC#CCCCO)O

DOS

IR

Vibrations