Geometry & MOs

Info

ID:	395382
PubChem CID:	135025340
Reduced:	BrClNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	2.47
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-bis[(E)-2-methylbut-2-enoxy]benzoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)Cl)OC3=C(C1=O)C=C(C=C3)Br

DOS

IR

Vibrations