Geometry & MOs

Info

ID:	312922
PubChem CID:	126609969
Reduced:	O10H54C59 (1)
Stoich.:	A10B54C59 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-226.06
Dipole, Da:	14.88
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1,3-dimethyl-2-prop-2-enoxybenzene

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OCC2=CC=CC=C2OCC3=CC=CC=C3OCC4=CC=CC=C4OCC5=CC=CC=C5OCC6=CC=CC=C6OCC7=CC=CC=C7OCC8=CC=CC=C8O)C(=O)OC

DOS

IR

Vibrations