Geometry & MOs

Info

ID:	407425
PubChem CID:	135080082
Reduced:	O7C22H24 (1)
Stoich.:	A7B22C24 (1)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-223.59
Dipole, Da:	1.27
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodec-9-ynal;styrene

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=C(C=C(C=C1OC)OC)OC)/C(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations