Geometry & MOs

Info

ID:	44960
PubChem CID:	10506835
Reduced:	OC9H13 (4)
Stoich.:	AB9C13 (4)
Weight, g/mol:	548.22899
ΔH_f, kcal/mol:	-188.89
Dipole, Da:	3.31
IP(EA), eV:	-8.91(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3,4,5,6-tetrakis(3,3-dimethylbut-1-ynyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OCCCCCCCCCCC

DOS

IR

Vibrations