Geometry & MOs

Info

ID:	405655
PubChem CID:	135074864
Reduced:	SO4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	248.156501
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	6.61
IP(EA), eV:	-8.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethynylcyclohexen-1-yl)pent-4-ynylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C#CCOC2=CC=CC=C2C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations