Geometry & MOs

Info

ID:	394622
PubChem CID:	135023301
Reduced:	OC11H11 (2)
Stoich.:	AB11C11 (2)
Weight, g/mol:	843.336396
ΔH_f, kcal/mol:	51.58
Dipole, Da:	2.84
IP(EA), eV:	-9.15(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C#CC(C#C)(C(CC1=CC=CC=C1)CC2=CC=CC=C2)OCCO

DOS

IR

Vibrations